data_2ecg_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 2ecg _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 ' 27' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' N ' HD22 ' A' ' 27' ' ' LEU . 12.8 t -45.34 153.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.456 ' CD1' HG21 ' A' ' 48' ' ' THR . 2.8 mp -70.42 -58.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.12 -28.38 14.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.4 mtp 55.03 42.66 30.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -121.09 -44.89 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 53.1 mtp180 -104.97 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -95.91 145.54 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -72.21 115.42 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.67 21.24 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mm -147.16 147.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 70' ' ' GLN . 2.0 m -117.53 178.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 66' ' ' ILE . 22.8 m-85 -116.51 156.8 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 77.8 t -130.43 138.55 33.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.648 0.737 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -50.87 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.355 -0.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.0 p -44.91 114.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.48 97.25 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 52.8 m80 -125.92 102.57 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.497 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -83.61 34.1 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.91 4.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 30' ' ' ILE . 40.3 p -130.64 158.43 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -99.01 171.82 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -42.88 -49.69 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.416 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 77.4 mt-30 -59.68 -69.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ALA . 99.1 m -50.41 -62.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.08 -44.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.04 -42.41 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.56 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.59 120.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.53 -36.84 76.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.8 ptpt -130.12 145.07 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.5 t -35.69 118.54 0.64 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 mmt -123.32 -36.54 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.7 m -109.4 2.51 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 45.24 25.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 98.9 m -91.4 111.22 22.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' THR . 92.7 t -36.31 135.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.532 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.9 mt -100.89 93.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 t -95.58 22.05 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 17.1 t80 -168.14 127.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -109.19 80.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 39' ' ' VAL . 49.8 tp60 -73.64 139.51 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -108.69 125.56 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CD1' ' C ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' N ' HD22 ' A' ' 27' ' ' LEU . 15.8 t -45.83 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -127.35 -27.48 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.54 -55.56 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.71 -27.15 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.1 mtp 51.84 42.32 29.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.24 -45.35 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 11.8 mtp-105 -102.69 -175.5 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.49 148.62 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 2.8 pt -74.82 112.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.1 22.91 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mm -146.54 149.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.15 178.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 66' ' ' ILE . 20.9 m-85 -116.42 163.53 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.541 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 1.9 t -134.02 137.81 29.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.71 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.8 p -42.18 116.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.48 100.38 2.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.592 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.4 m80 -125.07 108.71 12.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.46 45.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.61 22.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.7 p -148.28 155.52 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.0 p -103.21 163.28 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' CYS . 17.4 mtmm -36.87 -41.77 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.74 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' ALA . 98.9 m -55.7 -61.12 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.18 -39.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.65 -44.15 44.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.55 -44.51 96.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.29 115.3 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -66.8 -32.53 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -137.09 155.25 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 63' ' ' TYR . 13.3 t -43.87 118.02 2.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.39 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.65 -36.84 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.0 m -112.33 1.9 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.0 m-85 46.6 30.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -94.6 118.24 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.08 125.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 40' ' ' PHE . 9.4 mt -92.38 88.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.8 t -80.27 -29.95 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -113.9 133.61 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -112.4 84.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.472 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 19.8 tp60 -82.09 132.28 35.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 17.2 ttmt -93.37 141.8 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD21 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.548 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.6 t -37.74 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -122.21 -27.68 4.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 48' ' ' THR . 3.8 mp -74.5 -63.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.57 -33.9 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.416 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 27.0 mtp 60.86 44.75 10.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.68 -48.33 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -101.97 166.62 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.3 113.5 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 48' ' ' THR . 1.9 pp -43.87 121.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 15.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -137.6 149.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' A' ' 72' ' ' ILE . 3.1 m -118.45 179.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.0 m-85 -115.52 155.3 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 73.7 t -129.43 139.26 35.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.72 -51.32 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.361 -0.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.4 p -44.1 111.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.43 103.47 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 50.6 m80 -134.3 102.3 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.12 43.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.27 18.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.472 ' N ' HG21 ' A' ' 36' ' ' ILE . 40.9 p -145.02 146.31 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -94.06 154.33 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' CYS . 28.4 ttmt -33.47 -45.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.36 -61.76 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.8 m -57.69 -55.95 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.22 -36.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.6 -42.7 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -65.95 -46.16 79.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -67.48 122.52 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 -35.65 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.2 ptpt -145.68 153.84 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.7 t -35.67 116.16 0.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.93 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mmm -124.21 -41.89 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.4 m -103.4 -20.3 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 12.9 m-85 67.99 25.02 7.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.3 m -88.25 103.84 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' THR . 74.7 t -33.04 107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.559 HG12 ' CD1' ' A' ' 40' ' ' PHE . 20.2 mt -50.02 97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -78.89 -28.94 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 43.4 t80 -148.65 157.28 43.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -129.62 89.08 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.58 134.06 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.62 132.95 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.408 HG21 ' CG1' ' A' ' 39' ' ' VAL . 43.2 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.836 0.35 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.524 ' N ' HD23 ' A' ' 27' ' ' LEU . 10.5 t -42.12 168.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' CD ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -127.96 -25.74 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.478 ' CD1' HG22 ' A' ' 48' ' ' THR . 3.5 mp -76.81 -59.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.3 p -90.52 -28.75 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.3 mtp 53.94 44.49 29.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -133.38 -48.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -87.72 -175.0 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -110.2 140.52 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -74.51 112.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.32 23.7 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mm -145.97 146.29 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 3.1 m -117.38 178.86 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.474 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.5 m-85 -116.55 163.98 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.529 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 75.0 t -134.31 138.58 30.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.81 -50.65 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.341 -0.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.3 p -47.01 113.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.69 102.95 2.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.2 m80 -128.43 115.06 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.39 37.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -72.13 -34.74 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.478 HG22 ' CD1' ' A' ' 30' ' ' ILE . 71.9 p -100.0 160.53 14.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.2 179.01 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -54.15 -39.91 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.5 -63.06 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.6 m -54.63 -57.13 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.66 -44.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.01 -38.77 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -62.51 -41.23 98.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.5 116.49 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.07 -35.13 79.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -136.54 153.14 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.1 t -41.89 114.41 1.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.89 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -119.77 -38.91 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -109.16 -1.51 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.9 m-85 50.64 25.74 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.989 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -92.28 111.45 23.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.5 t -39.8 129.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.8 mt -92.6 97.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -98.06 22.51 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.478 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 21.8 t80 -168.63 124.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -105.12 80.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.58 143.87 56.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -103.28 110.64 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.465 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 38.0 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.539 ' N ' HD21 ' A' ' 27' ' ' LEU . 19.3 t -44.68 155.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 32.3 mtmt -116.55 -36.45 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mp -60.48 -67.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -87.97 -34.26 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.3 mtp 60.71 44.91 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 -38.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 13.3 mmm180 -92.8 171.71 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' ILE . 1.7 p-10 -101.13 102.52 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 28' ' ' CYS . 1.7 pp -33.88 110.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -134.1 21.93 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.0 mm -143.34 146.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.548 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 1.6 m -118.05 174.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 25.9 m-85 -110.88 155.35 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.5 t -128.96 136.77 29.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.8 -51.45 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.229 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.342 -0.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.1 p -46.25 115.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.46 105.3 3.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 69.0 m80 -122.24 115.9 23.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.548 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -79.29 43.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.93 30.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -154.81 136.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 21.6 p -87.73 -178.16 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -40.74 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -72.55 -66.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.9 m -44.82 -63.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.1 -43.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.26 -49.05 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.75 129.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.1 -30.94 39.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.8 ptpt -140.29 143.44 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.67 118.76 0.48 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 4.17 2.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.455 ' HE2' ' CE ' ' A' ' 29' ' ' LYS . 9.1 mmt -124.56 -33.28 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.8 m -112.57 -0.42 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 20.7 m-85 48.58 25.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -91.12 116.0 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.52 146.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.418 HG12 ' CD1' ' A' ' 40' ' ' PHE . 14.4 mt -108.29 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.2 t -87.6 -22.15 24.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -125.75 136.33 53.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE2' ' C ' ' A' ' 53' ' ' ALA . 2.9 mmmp? -118.35 83.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -86.21 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 28.3 ttpt -111.41 142.35 43.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 42.5 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.48 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -45.53 163.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -9.92 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CD1' ' CG2' ' A' ' 48' ' ' THR . 3.6 mp -94.08 -59.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -91.15 -36.87 13.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 6.3 mtt 59.86 39.56 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.58 -45.24 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -119.15 -179.85 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.93 155.06 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 2.7 pt -86.14 121.72 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 24.03 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.8 mm -147.24 150.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 70' ' ' GLN . 2.4 m -130.78 178.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 66' ' ' ILE . 20.6 m-85 -111.66 170.57 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 75.9 t -142.59 138.16 16.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.76 -49.51 0.23 Allowed 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.317 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.2 p -42.83 115.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.18 100.42 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 52.8 m80 -128.43 116.6 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.68 26.5 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -62.97 -20.93 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' CD1' ' A' ' 30' ' ' ILE . 72.0 p -114.84 156.32 25.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 p -94.37 -174.12 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -54.17 -39.61 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -73.97 -70.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLN . 56.4 m -37.12 -53.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.01 -42.9 29.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.5 mt-10 -68.08 -37.93 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.6 84.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.68 112.8 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.71 -38.41 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -111.74 155.69 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' TYR . 27.8 t -52.52 121.86 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 mmm -125.86 -31.42 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.0 m -117.83 9.99 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 37.8 29.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' CYS . 41.2 m -94.2 107.23 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -37.82 123.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 40' ' ' PHE . 9.1 mt -82.9 93.35 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -90.02 8.02 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 29.8 t80 -156.8 118.42 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 66' ' ' ILE . 14.3 mptt -100.59 78.23 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.615 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 61.8 tp60 -69.13 156.11 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.615 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 9.6 mttp -114.37 148.33 37.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.1 t -42.98 167.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -124.75 -35.39 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.68 -64.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -85.37 -40.76 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.478 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 2.5 mtt 60.97 45.74 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -40.14 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -110.31 165.18 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -86.83 119.67 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pp -45.2 118.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.02 26.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -147.6 145.18 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.59 179.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 66' ' ' ILE . 24.6 m-85 -115.98 167.19 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 48.6 t -139.55 137.09 18.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.63 0.729 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.78 -52.06 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.356 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -42.61 113.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.76 101.18 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.601 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 60.9 m80 -128.04 100.25 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' H ' ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.51 36.44 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 48' ' ' THR . 19.1 m -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 47' ' ' VAL . 56.9 p -94.69 152.88 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -83.98 179.04 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -56.45 -43.3 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.38 -54.99 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.7 m -59.14 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.05 -41.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.21 -42.25 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -64.15 -46.77 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.79 112.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.7 -38.46 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -132.06 157.78 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -42.79 121.47 2.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 5.39 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.9 mmt -128.28 -38.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.0 m -105.59 -7.45 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 7.3 m-85 52.89 34.78 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.8 m -96.74 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -40.07 121.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.1 mt -82.3 87.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 -33.62 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -118.08 133.23 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.77 81.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.21 153.24 44.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -111.35 115.96 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.4 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.515 ' N ' HD23 ' A' ' 27' ' ' LEU . 17.4 t -44.65 158.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -121.86 -28.97 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 48' ' ' THR . 3.5 mp -67.3 -56.78 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -98.43 -37.65 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp 59.49 43.71 15.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.74 -43.23 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -109.31 166.21 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -87.94 128.64 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 HG21 ' C ' ' A' ' 27' ' ' LEU . 2.1 pp -54.85 126.54 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.29 16.72 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.0 mm -146.74 149.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 72' ' ' ILE . 2.5 m -122.88 177.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.1 m-85 -110.7 156.04 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 69.0 t -132.98 139.45 34.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.77 -47.5 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.4 p -46.6 116.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.25 101.86 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.589 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 54.9 m80 -131.32 110.7 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -93.1 47.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 3.1 m -89.45 10.13 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.404 ' CG2' HD13 ' A' ' 30' ' ' ILE . 52.9 p -141.32 161.33 38.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -102.92 165.96 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 32.0 mttm -36.2 -44.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.31 -67.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.8 m -51.56 -60.92 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -37.03 -36.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -81.57 -43.69 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -58.4 -46.3 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.19 115.57 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.14 -38.37 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -147.75 152.83 38.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.9 t -33.66 117.72 0.48 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 7.73 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.403 ' H ' ' C ' ' A' ' 59' ' ' CYS . 4.1 mmm -128.55 -38.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 9.3 m -105.66 -10.06 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.4 m-85 56.26 32.46 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.7 m -102.23 105.54 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.35 124.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -69.92 93.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -84.96 12.98 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -169.31 122.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -97.0 89.97 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.45 ' HB3' ' CG2' ' A' ' 39' ' ' VAL . 18.1 tp60 -85.85 125.44 33.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -88.16 137.51 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.479 HG23 ' CG1' ' A' ' 39' ' ' VAL . 30.5 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.525 ' N ' HD22 ' A' ' 27' ' ' LEU . 18.5 t -43.32 163.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -119.11 -37.44 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.447 HD13 ' CG2' ' A' ' 48' ' ' THR . 2.2 mp -62.64 -69.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' N ' HG22 ' A' ' 30' ' ' ILE . 22.4 p -80.33 -41.36 24.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.0 mtp 63.92 42.26 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.07 -53.92 2.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HG3' ' CB ' ' A' ' 49' ' ' CYS . 3.8 ptm85 -109.0 -174.7 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.58 161.4 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 28' ' ' CYS . 3.8 pt -84.99 123.1 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.401 ' C ' HG12 ' A' ' 38' ' ' ILE . . . -135.01 20.86 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.401 HG12 ' C ' ' A' ' 37' ' ' ALA . 14.7 mm -147.61 151.44 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 72' ' ' ILE . 2.9 m -130.99 179.19 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 66' ' ' ILE . 18.5 m-85 -112.82 157.57 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 70.4 t -133.21 139.35 33.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.68 -51.36 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.37 -0.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.9 p -43.37 111.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.45 100.89 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 56.2 m80 -128.08 99.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.482 ' N ' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.18 46.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 m -87.59 11.25 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.447 ' CG2' HD13 ' A' ' 30' ' ' ILE . 61.0 p -142.93 158.98 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 25.0 p -97.0 -179.74 4.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -49.24 -44.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.42 -68.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' ALA . 61.6 m -46.96 -59.4 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.43 -38.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -78.13 -45.97 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.54 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.27 114.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.73 -35.11 78.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.1 ptpt -148.24 150.89 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 61' ' ' MET . 24.0 t -37.12 115.37 0.7 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 9.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.437 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 mtp -123.3 -43.52 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 6.3 m -106.99 -4.92 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' CYS . 12.9 m-85 54.22 33.19 17.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -97.32 111.89 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.3 t -42.36 120.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 40' ' ' PHE . 10.6 mt -75.71 89.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 68' ' ' PHE . 9.4 t -78.71 -33.05 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' N ' HG23 ' A' ' 67' ' ' THR . 26.0 t80 -119.24 127.77 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.452 ' CD ' HG23 ' A' ' 66' ' ' ILE . 4.4 mmmm -103.39 76.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 56.5 tp60 -62.35 152.23 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.455 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 25.4 mtpt -112.1 124.15 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.468 ' CG2' HG11 ' A' ' 39' ' ' VAL . 44.5 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.57 ' N ' HD23 ' A' ' 27' ' ' LEU . 10.5 t -43.04 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -129.06 -30.54 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.74 -65.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -85.92 -41.44 14.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mtp 60.32 46.4 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.16 -41.39 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -111.79 -174.27 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -101.58 121.44 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pp -49.44 121.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.98 27.0 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mm -147.47 152.83 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.42 178.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' HD12 ' A' ' 66' ' ' ILE . 18.1 m-85 -109.35 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 74.1 t -148.13 138.14 12.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.662 0.744 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -50.09 0.2 Allowed 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.341 -0.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.2 p -41.07 114.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.13 101.46 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.605 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 63.7 m80 -130.91 101.38 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' N ' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.61 49.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.07 7.76 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 6.7 p -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' CYS . 13.3 ttpt -33.71 -48.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.402 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 4.7 mt-30 -61.96 -60.96 2.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' ALA . 90.7 m -59.9 -61.84 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.88 -37.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.77 -43.6 36.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -63.75 -46.4 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 119.28 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -20.24 60.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 13.7 ptpt -160.06 144.13 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' LYS . 20.9 t -34.01 116.72 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.483 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.7 9.08 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' CYS . 43.6 mtm -127.08 -38.31 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.7 m -108.46 -5.23 16.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.6 m-85 52.29 39.66 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.2 m -104.29 109.37 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 66' ' ' ILE . 67.1 t -35.6 138.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' A' ' 40' ' ' PHE . 5.0 mm -77.46 92.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 t -87.69 2.5 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 40.4 t80 -166.31 163.07 17.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -135.0 79.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.37 131.49 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.47 132.1 40.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 HG12 ' C ' ' A' ' 37' ' ' ALA . 34.7 pt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.854 0.359 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.528 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.5 t -44.23 170.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -128.82 -26.58 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -81.77 -68.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -79.7 -37.33 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.5 mtt 56.63 45.03 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -115.03 -37.78 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -120.05 -174.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -103.38 120.17 40.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 1.6 pp -42.77 125.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.87 22.23 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 39' ' ' VAL . 33.0 mm -146.24 154.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' N ' HG23 ' A' ' 38' ' ' ILE . 2.9 m -129.78 177.57 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 66' ' ' ILE . 20.1 m-85 -111.38 172.35 6.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 72.2 t -142.98 137.82 15.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 -50.63 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.353 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -43.68 116.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.14 99.24 2.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 58.2 m80 -129.07 100.41 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -84.33 43.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 m -73.65 -33.19 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.3 p -105.15 150.69 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LYS . 27.5 p -85.49 155.53 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 pttt -38.05 -33.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 2.6 mt-30 -69.82 -58.33 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.05 -51.01 63.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.02 -47.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -61.19 -43.04 99.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.39 77.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 m -68.36 128.42 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.69 -29.5 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.1 ptpp? -147.78 150.78 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -35.23 121.57 0.61 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 5.19 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.1 mmt -126.53 -39.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.2 m -105.94 -6.23 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 53.58 31.32 12.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.6 m -97.25 106.24 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -39.24 128.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.0 mp -76.05 96.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 t -91.11 9.98 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.483 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 38.9 t80 -163.39 126.99 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -103.78 81.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.19 146.65 48.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -111.5 116.59 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.428 HG23 ' CG1' ' A' ' 39' ' ' VAL . 1.6 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD21 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.51 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.6 t -41.45 165.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -120.93 -42.5 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mp -60.52 -68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 p -80.07 -34.28 38.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 mtp 62.95 44.26 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -133.52 -60.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -178.53 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.65 141.65 36.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 4.8 pt -72.92 114.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.85 18.33 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 39' ' ' VAL . 49.6 mm -142.65 142.07 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 38' ' ' ILE . 4.8 m -119.91 179.29 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 66' ' ' ILE . 21.3 m-85 -116.22 161.88 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 42' ' ' PRO . 19.8 t -132.94 136.62 27.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.541 ' N ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.73 -55.3 0.14 OUTLIER 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.355 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.4 p -40.79 109.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.65 100.95 2.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 50.2 m80 -125.4 100.68 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.88 39.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.87 16.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -139.63 161.74 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 p -108.68 160.46 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -62.46 -57.36 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ALA . 66.5 m -70.96 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.21 -44.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.57 -46.85 71.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -59.21 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -68.51 120.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.47 -36.01 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -133.22 152.65 51.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' H ' ' A' ' 61' ' ' MET . 11.7 t -42.13 115.7 1.59 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.77 9.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.438 ' H ' ' C ' ' A' ' 59' ' ' CYS . 13.3 mmt -127.66 -39.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -104.97 -10.52 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 58.83 32.73 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' VAL . 47.1 m -98.9 109.73 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' THR . 95.7 t -36.67 117.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 40' ' ' PHE . 13.1 mt -77.95 83.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 t -72.58 -31.27 65.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -125.43 135.82 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -115.95 85.65 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -70.58 129.38 39.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -94.6 116.21 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.846 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.549 ' N ' HD21 ' A' ' 27' ' ' LEU . 12.2 t -49.52 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 18.5 mtmt -128.44 -23.12 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -77.18 -65.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -88.54 -36.52 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mtp 58.76 44.37 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -119.74 -37.19 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 28.6 mtt85 -119.39 152.22 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.63 125.13 27.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -48.32 126.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.17 12.68 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mm -144.09 149.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 3.4 m -116.71 174.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 15.6 m-85 -109.39 152.06 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 87.2 t -128.32 139.13 34.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.712 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 -49.95 0.21 Allowed 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.333 -0.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.7 p -49.62 115.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.08 104.56 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.0 m80 -121.88 112.97 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD11 ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.83 46.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG1' ' HE2' ' A' ' 29' ' ' LYS . 32.0 m -110.64 23.59 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 p -152.23 139.48 19.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -91.59 161.8 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' CYS . 8.3 mtpm? -36.35 -46.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -62.01 -62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 94.4 m -55.46 -63.19 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -37.91 -45.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.26 -38.09 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.53 -47.12 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.31 122.7 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.97 -30.49 66.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.5 ptpt -134.12 142.43 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.4 t -35.05 116.63 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.73 4.11 2.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.396 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mmm -122.86 -31.12 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -116.84 2.73 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.3 m-85 45.68 26.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.436 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 28.5 m -89.37 114.06 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -38.4 133.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CD1' ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -102.53 104.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -107.84 22.58 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 17.2 t80 -163.45 145.4 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -130.25 92.78 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -92.56 152.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 24.0 ttmt -97.66 151.88 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.591 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 2.7 pp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.544 ' N ' HD23 ' A' ' 27' ' ' LEU . 14.9 t -37.39 155.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -119.34 -28.99 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.35 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -89.2 -33.53 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 mtp 57.65 45.92 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -124.72 -40.95 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -107.19 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -96.7 142.72 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 4.5 pt -69.98 114.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 20.77 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' CG2' ' HE2' ' A' ' 69' ' ' LYS . 29.2 mm -144.71 139.22 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 70' ' ' GLN . 2.8 m -116.07 178.36 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 66' ' ' ILE . 31.8 m-85 -114.85 157.09 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 42' ' ' PRO . 3.6 t -129.79 136.78 29.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' N ' HG12 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.347 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.3 p -42.98 113.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.93 103.22 3.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 59.6 m80 -129.01 99.34 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.48 44.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.06 13.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.4 p -138.62 159.56 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.9 p -105.74 159.27 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' CYS . 5.7 mmmm -33.99 -41.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.9 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' ALA . 77.8 m -55.66 -66.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.42 -34.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' CYS . 7.5 mm-40 -76.55 -43.56 38.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -68.69 -44.42 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.8 m -63.79 120.06 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.24 -30.3 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.5 ptpt -146.56 145.81 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.91 116.39 0.48 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 8.84 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.42 ' H ' ' C ' ' A' ' 59' ' ' CYS . 3.3 mtt -125.43 -41.59 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.585 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.6 m -106.08 -17.73 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' CYS . 18.9 m-85 67.96 27.26 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' VAL . 34.9 m -94.41 101.02 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' THR . 79.0 t -34.19 122.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.503 ' CG1' ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -57.23 94.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 -30.07 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -147.75 131.27 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HE2' ' CG2' ' A' ' 38' ' ' ILE . 6.6 tptm -98.32 97.58 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 35.1 tp60 -91.45 137.21 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -95.71 143.32 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.6 pt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.152 179.804 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.543 ' N ' HD23 ' A' ' 27' ' ' LEU . 10.8 t -43.9 168.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -123.94 -38.88 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.77 -66.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -80.9 -42.93 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.437 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtp 60.42 45.61 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.71 -40.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -116.81 151.44 36.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -67.87 143.89 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -82.9 140.85 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.7 11.94 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 24.2 mm -133.13 148.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 2.4 m -116.84 178.32 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 18.3 m-85 -113.0 151.24 30.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 68.8 t -127.84 137.5 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 -50.45 0.19 OUTLIER 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.294 -0.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.6 p -49.27 116.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.73 106.56 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.615 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 73.3 m80 -123.91 112.01 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.503 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -75.33 47.73 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.81 14.16 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.559 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 2.1 p -143.87 128.46 18.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.7 p -88.78 169.5 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.7 mtmm -41.94 -46.37 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.83 -65.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 92.6 m -56.07 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.91 -40.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 50' ' ' LYS . 35.2 mm-40 -70.11 -42.94 72.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.78 -48.16 83.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -75.06 121.11 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.64 -33.56 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -132.25 145.33 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -37.77 113.1 0.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.541 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 8.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.412 ' H ' ' C ' ' A' ' 59' ' ' CYS . 3.6 mtt -123.14 -38.36 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.8 m -112.23 -2.1 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 54.35 25.24 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.9 m -90.04 110.22 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -38.43 132.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 40' ' ' PHE . 11.6 mt -92.59 95.39 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 t -93.95 18.91 9.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -166.51 152.22 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -129.93 105.53 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.08 154.1 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 11.4 ptpt -120.59 126.77 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.547 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.513 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.9 t -43.59 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -120.75 -38.59 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.97 -72.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -72.17 -41.37 67.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.439 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 12.5 mtp 61.6 42.63 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -119.31 -51.77 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -109.09 167.22 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -66.88 158.1 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -72.45 -79.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' C ' HG12 ' A' ' 38' ' ' ILE . . . 58.06 25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.43 HG12 ' C ' ' A' ' 37' ' ' ALA . 14.7 mm -148.37 145.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.86 177.09 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' HG12 ' A' ' 66' ' ' ILE . 23.8 m-85 -116.51 156.37 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.533 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.4 t -129.35 136.8 29.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.587 0.708 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.81 -53.49 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.35 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.5 p -41.44 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.57 100.39 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.616 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.6 m80 -122.42 109.88 14.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.32 66.62 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.36 -28.61 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -100.68 153.37 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.01 176.36 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HA ' HG13 ' A' ' 38' ' ' ILE . 2.1 ttpm? -48.46 -26.7 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -86.09 -68.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 67.0 m -48.93 -54.2 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.58 -44.74 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.15 -42.03 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.78 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.02 122.4 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.03 -33.03 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 5.2 ptpp? -141.72 150.02 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 61' ' ' MET . 19.1 t -35.61 114.49 0.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.735 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.4 Cg_endo -69.69 10.31 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' CYS . 2.4 mtt -126.08 -39.5 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.616 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -105.93 -14.3 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m-85 67.4 25.9 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.401 ' C ' ' HB2' ' A' ' 58' ' ' LYS . 23.1 m -91.98 122.37 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.5 t -45.2 125.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.558 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.3 mt -89.69 86.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -82.3 -27.15 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -117.1 133.39 56.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' CE ' HG21 ' A' ' 66' ' ' ILE . 22.3 mmtp -114.86 70.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.22 155.21 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -125.28 89.27 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 22.4 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.518 ' O ' HD21 ' A' ' 27' ' ' LEU . 9.2 t -43.21 170.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 25.4 mtmt -131.51 -34.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.43 HD11 ' CE ' ' A' ' 61' ' ' MET . 2.5 mp -71.75 -64.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -87.63 -37.04 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.4 mtp 61.32 45.13 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.59 -52.55 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -107.11 156.94 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.93 147.56 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pp -78.77 120.89 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 23.32 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -147.68 151.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.66 178.04 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 66' ' ' ILE . 26.6 m-85 -111.13 165.05 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 71.0 t -136.82 139.08 27.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.76 -47.13 0.32 Allowed 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.348 -0.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.6 p -45.4 115.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.16 104.11 3.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 64.6 m80 -126.42 102.28 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.482 ' H ' ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.63 34.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.462 ' CG1' ' HE2' ' A' ' 29' ' ' LYS . 26.1 m -83.32 -25.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.468 ' CG2' ' HE2' ' A' ' 61' ' ' MET . 81.8 p -100.74 157.71 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.0 p -104.73 158.84 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' CYS . 20.1 ttpt -33.85 -49.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -53.94 -65.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.69 -58.53 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.75 -44.82 3.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -70.67 -43.81 68.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.56 86.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.73 122.43 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.74 21.17 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.436 ' N ' HD12 ' A' ' 66' ' ' ILE . 7.4 ptpp? -175.26 130.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' TYR . 32.1 t -42.18 113.87 1.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.482 ' HG2' ' CE ' ' A' ' 61' ' ' MET . 53.9 Cg_endo -69.8 1.19 4.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.482 ' CE ' ' HG2' ' A' ' 60' ' ' PRO . 1.8 mpt? -105.92 -38.64 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 6.2 m -112.53 -6.29 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' CYS . 8.4 m-85 58.65 24.98 12.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.0 m -94.43 115.19 27.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.8 124.2 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 40' ' ' PHE . 6.9 mt -81.14 90.59 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.1 t -83.55 17.06 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.46 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 22.9 t80 -167.03 131.88 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -106.3 61.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 152.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -118.52 131.44 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.855 0.36 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.547 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -44.12 168.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -128.47 -27.22 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.3 -59.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -94.03 -36.17 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 23.7 mtp 59.03 45.71 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 -41.98 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD2' ' CD ' ' A' ' 51' ' ' GLN . 52.3 mtt-85 -118.49 160.73 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -77.64 131.47 37.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 28' ' ' CYS . 2.3 pp -57.93 123.92 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.97 22.38 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.488 ' CD1' ' HG2' ' A' ' 71' ' ' LYS . 44.0 mm -142.66 153.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' HD12 ' A' ' 46' ' ' LEU . 1.4 m -121.58 176.95 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 20.3 m-85 -116.96 150.68 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 55.0 t -127.08 139.05 34.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 54.1 Cg_endo -69.74 -48.72 0.26 Allowed 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.373 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 40' ' ' PHE . 17.4 p -51.57 116.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -97.73 107.84 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.597 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.2 m80 -128.09 109.76 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.513 HD12 ' CG1' ' A' ' 39' ' ' VAL . 2.2 mm? -76.29 50.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 m -110.3 17.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.549 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 p -147.12 139.46 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' CYS . 32.1 p -90.85 151.57 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -40.54 -33.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.426 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 30.8 mt-30 -67.69 -41.64 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' CYS . 66.9 m -82.49 -53.15 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.01 -43.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -64.88 -47.33 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.85 -46.78 89.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.51 114.95 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.85 -36.48 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.1 ptpp? -138.33 151.2 47.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -34.75 117.36 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.78 8.52 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.42 ' H ' ' C ' ' A' ' 59' ' ' CYS . 28.7 mmm -128.77 -37.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 9.0 m -107.59 -7.41 16.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.5 m-85 55.11 30.01 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' VAL . 59.3 m -96.38 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' THR . 88.2 t -36.05 139.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.535 HD12 ' CE1' ' A' ' 40' ' ' PHE . 15.4 mt -100.62 89.16 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 t -92.83 19.45 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -173.03 124.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -110.64 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.79 169.71 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 27.9 mtpt -129.9 130.16 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.8 t -43.46 163.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -120.67 -31.01 4.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.7 -66.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -85.64 -38.26 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.414 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 40.8 mtp 61.69 40.49 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.79 -51.74 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 9.2 ptm180 -113.64 175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -81.76 149.25 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 28' ' ' CYS . 2.5 pp -75.2 121.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.97 29.11 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 46' ' ' LEU . 27.2 mm -147.67 144.44 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 46' ' ' LEU . 2.0 m -113.56 178.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 21.5 m-85 -115.38 154.07 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 58.3 t -129.24 137.39 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.77 -50.91 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.0 p -48.57 116.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.19 105.46 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 69.7 m80 -125.82 113.16 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 38' ' ' ILE . 1.1 mm? -84.24 67.17 9.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.7 m -119.84 1.58 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.464 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 3.0 p -131.4 152.11 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.92 -175.01 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -60.13 -43.46 95.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' NE2' ' HD3' ' A' ' 34' ' ' ARG . 2.7 mp0 -65.78 -62.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 85.1 m -54.7 -57.94 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.96 -46.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.89 -42.42 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.28 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 m -67.84 120.97 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.8 ptpt -137.77 144.04 41.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -34.87 118.91 0.57 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.75 4.37 2.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.9 mtm -121.9 -37.99 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.8 m -111.68 0.91 16.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.8 m-85 47.72 30.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 47.6 m -89.35 114.26 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.1 t -39.57 115.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 40' ' ' PHE . 19.8 mt -85.07 94.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -95.81 19.7 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -164.58 156.64 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -133.51 88.35 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.654 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 38.1 tp60 -88.41 158.06 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.654 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 14.5 mtpt -120.42 143.61 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.85 0.357 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.528 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.0 t -41.07 145.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -101.79 -33.15 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 48' ' ' THR . 3.6 mp -68.39 -77.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 30' ' ' ILE . 14.4 p -74.24 -30.33 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.442 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 26.9 mtp 56.38 43.77 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.29 -51.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -95.42 168.43 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.1 142.54 28.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 2.3 pp -77.31 119.58 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . -134.97 23.43 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mm -143.23 146.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.99 179.09 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CD1' ' CD1' ' A' ' 66' ' ' ILE . 21.6 m-85 -118.97 154.48 32.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 54.3 t -130.16 140.32 38.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -51.62 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.301 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 19.7 p -42.01 107.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.5 102.49 2.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 47.8 m80 -130.12 96.91 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' N ' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.27 45.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 32.1 m -98.51 26.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.47 HG21 ' CD1' ' A' ' 30' ' ' ILE . 40.9 p -146.61 146.98 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' LYS . 29.1 p -98.54 158.23 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' CYS . 39.6 mmtt -34.27 -48.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.43 -60.58 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ALA . 74.9 m -64.38 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.8 -39.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.67 -44.28 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.63 116.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -67.07 -34.93 78.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.6 ptpt -137.0 150.46 48.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 12.0 t -36.06 115.96 0.62 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.482 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 6.46 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.218 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.3 mmt -123.6 -37.14 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.2 m -110.74 -1.92 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.3 m-85 52.01 26.84 3.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.0 m -92.96 113.44 25.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.7 t -40.86 125.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.596 ' CD1' ' CD1' ' A' ' 40' ' ' PHE . 12.9 mt -90.01 90.84 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -81.08 -24.28 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -124.36 130.02 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HD2' ' CG2' ' A' ' 66' ' ' ILE . 1.6 mptt -113.86 97.88 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -91.86 144.47 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 3.3 ttmm -101.48 127.27 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 46' ' ' LEU . 1.5 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -136.31 156.23 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -139.5 169.19 18.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.95 95.75 1.45 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -139.02 105.39 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -129.59 151.76 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 96.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -93.43 143.89 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.73 94.67 9.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -157.61 160.0 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -170.34 145.08 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.22 152.84 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 7.6 mt -98.23 141.09 16.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 m -84.02 165.18 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 t -58.12 -28.9 65.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.19 -64.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 6.2 tp10 -63.7 -55.2 25.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.5 -63.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.7 mp -52.6 -45.18 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -54.03 -15.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 14.5 mtp-105 -88.46 -52.92 4.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.95 -50.62 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LEU . 34.1 mt-30 -51.17 -31.38 19.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -98.42 28.03 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.41 -25.82 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 27' ' ' LEU . 9.2 pttm -104.55 -39.17 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.594 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.26 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' N ' HD22 ' A' ' 27' ' ' LEU . 12.8 t -45.34 153.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.456 ' CD1' HG21 ' A' ' 48' ' ' THR . 2.8 mp -70.42 -58.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.12 -28.38 14.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.4 mtp 55.03 42.66 30.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -121.09 -44.89 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 53.1 mtp180 -104.97 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -95.91 145.54 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -72.21 115.42 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.67 21.24 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mm -147.16 147.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 70' ' ' GLN . 2.0 m -117.53 178.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 66' ' ' ILE . 22.8 m-85 -116.51 156.8 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 77.8 t -130.43 138.55 33.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.648 0.737 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -50.87 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.355 -0.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.0 p -44.91 114.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.48 97.25 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 43' ' ' CYS . 52.8 m80 -125.92 102.57 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.497 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -83.61 34.1 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.91 4.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 30' ' ' ILE . 40.3 p -130.64 158.43 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -99.01 171.82 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -42.88 -49.69 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.416 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 77.4 mt-30 -59.68 -69.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ALA . 99.1 m -50.41 -62.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.08 -44.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.04 -42.41 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.56 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -76.59 120.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.53 -36.84 76.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.8 ptpt -130.12 145.07 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.5 t -35.69 118.54 0.64 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 mmt -123.32 -36.54 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.7 m -109.4 2.51 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 45.24 25.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 98.9 m -91.4 111.22 22.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' THR . 92.7 t -36.31 135.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.532 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.9 mt -100.89 93.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 t -95.58 22.05 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 17.1 t80 -168.14 127.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -109.19 80.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 39' ' ' VAL . 49.8 tp60 -73.64 139.51 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -108.69 125.56 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.427 ' CD1' ' C ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -97.84 167.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -129.82 52.44 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . 2.7 mtt -50.94 -53.12 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' MET . 1.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -119.29 109.76 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -87.62 -45.76 10.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.48 111.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -117.07 110.72 18.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.917 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -98.9 139.25 34.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.84 145.01 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -108.77 169.43 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 mt -116.22 100.36 7.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -131.97 91.5 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -149.47 120.92 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.54 165.87 26.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 54.5 mt -91.81 140.03 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.6 m -79.37 166.98 21.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.49 HG21 ' N ' ' A' ' 16' ' ' GLU . 14.6 t -58.99 -26.27 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' HG21 ' A' ' 15' ' ' THR . 23.5 mp0 -66.15 -57.1 8.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.37 -52.01 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 32.6 mt-30 -46.77 -61.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.0 mp -52.55 -41.35 63.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 1.9 ttt180 -57.91 -15.67 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -86.75 -47.79 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -52.19 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' LEU . 32.1 mt-30 -50.3 -53.65 27.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 8.9 pt-20 -47.88 -24.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.56 23.31 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' GLN . 50.4 mttm -132.68 -59.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -54.75 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' N ' HD22 ' A' ' 27' ' ' LEU . 15.8 t -45.83 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -127.35 -27.48 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.54 -55.56 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.71 -27.15 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.1 mtp 51.84 42.32 29.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.24 -45.35 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 11.8 mtp-105 -102.69 -175.5 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.49 148.62 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 2.8 pt -74.82 112.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.1 22.91 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mm -146.54 149.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 m -127.15 178.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 66' ' ' ILE . 20.9 m-85 -116.42 163.53 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.541 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 1.9 t -134.02 137.81 29.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.71 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.8 p -42.18 116.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.48 100.38 2.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -125.07 108.71 12.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.46 45.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.61 22.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.7 p -148.28 155.52 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.0 p -103.21 163.28 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' CYS . 17.4 mtmm -36.87 -41.77 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.74 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' ALA . 98.9 m -55.7 -61.12 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.18 -39.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.65 -44.15 44.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.55 -44.51 96.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.29 115.3 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -66.8 -32.53 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -137.09 155.25 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 63' ' ' TYR . 13.3 t -43.87 118.02 2.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.39 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.65 -36.84 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 m -112.33 1.9 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.0 m-85 46.6 30.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -94.6 118.24 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.08 125.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 40' ' ' PHE . 9.4 mt -92.38 88.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.8 t -80.27 -29.95 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -113.9 133.61 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -112.4 84.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.472 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 19.8 tp60 -82.09 132.28 35.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 17.2 ttmt -93.37 141.8 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 74' ' ' MET . 2.3 pp -126.66 -177.73 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -156.72 105.66 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 72' ' ' ILE . 20.9 mmt -95.0 -50.3 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -143.95 136.71 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -122.7 175.35 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.55 51.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -100.5 42.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 110.878 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -156.85 126.45 6.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.12 56.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 99.2 p -60.06 101.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' SER . 0.9 OUTLIER -37.28 114.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -54.33 133.03 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -144.76 123.35 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -130.96 169.87 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 53.0 mt -87.1 137.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.4 t -77.22 162.17 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 t -49.77 -37.39 29.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -53.13 -65.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.0 mt-10 -61.1 -56.01 25.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -42.53 -64.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' HG ' ' NE2' ' A' ' 23' ' ' GLN . 5.7 mp -48.23 -51.23 26.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -46.96 -18.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -81.65 -56.46 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.49 -47.23 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 32.0 mt-30 -51.64 -23.8 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 4.4 pt-20 -90.73 -20.15 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -94.61 14.71 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 19.0 pttt -134.99 -41.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD21 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -56.77 -178.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.548 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.6 t -37.74 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -122.21 -27.68 4.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 48' ' ' THR . 3.8 mp -74.5 -63.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.57 -33.9 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.416 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 27.0 mtp 60.86 44.75 10.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.68 -48.33 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -101.97 166.62 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.3 113.5 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 48' ' ' THR . 1.9 pp -43.87 121.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 15.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -137.6 149.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' A' ' 72' ' ' ILE . 3.1 m -118.45 179.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.0 m-85 -115.52 155.3 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.542 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 73.7 t -129.43 139.26 35.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.72 -51.32 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.361 -0.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.4 p -44.1 111.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.43 103.47 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -134.3 102.3 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.12 43.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.27 18.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.472 ' N ' HG21 ' A' ' 36' ' ' ILE . 40.9 p -145.02 146.31 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -94.06 154.33 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' CYS . 28.4 ttmt -33.47 -45.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.36 -61.76 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.8 m -57.69 -55.95 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.22 -36.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.6 -42.7 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -65.95 -46.16 79.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -67.48 122.52 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 -35.65 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.2 ptpt -145.68 153.84 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.7 t -35.67 116.16 0.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.93 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mmm -124.21 -41.89 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 m -103.4 -20.3 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 12.9 m-85 67.99 25.02 7.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.3 m -88.25 103.84 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' THR . 74.7 t -33.04 107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.559 HG12 ' CD1' ' A' ' 40' ' ' PHE . 20.2 mt -50.02 97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -78.89 -28.94 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 43.4 t80 -148.65 157.28 43.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -129.62 89.08 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.58 134.06 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.62 132.95 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.408 HG21 ' CG1' ' A' ' 39' ' ' VAL . 43.2 pt -102.01 166.77 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' MET . 17.1 m-85 -131.14 41.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' PHE . 24.4 mmt -37.15 -52.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -160.1 152.23 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -157.75 174.51 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.65 125.92 2.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -161.69 169.62 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -160.4 137.97 9.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.39 91.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 m -115.31 110.92 20.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 9' ' ' LEU . 3.7 mm? -125.25 168.12 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -68.33 117.86 10.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -106.59 112.58 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -152.85 157.09 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 42.3 mt -89.19 155.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 13' ' ' ILE . 2.1 t -95.59 167.6 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -58.89 -38.65 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.01 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 10.8 tt0 -61.36 -59.98 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -38.71 -63.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.7 -42.35 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 1.4 tpp180 -59.09 -11.49 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -91.9 -50.05 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.53 -49.05 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -50.11 -29.54 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.77 22.79 3.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -127.2 -24.02 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' LEU . 40.5 pttt -102.9 -42.68 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -49.05 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.524 ' N ' HD23 ' A' ' 27' ' ' LEU . 10.5 t -42.12 168.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' CD ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -127.96 -25.74 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.478 ' CD1' HG22 ' A' ' 48' ' ' THR . 3.5 mp -76.81 -59.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.3 p -90.52 -28.75 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.3 mtp 53.94 44.49 29.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -133.38 -48.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -87.72 -175.0 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -110.2 140.52 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -74.51 112.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.32 23.7 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mm -145.97 146.29 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 3.1 m -117.38 178.86 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.474 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.5 m-85 -116.55 163.98 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.529 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 75.0 t -134.31 138.58 30.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.81 -50.65 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.341 -0.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.3 p -47.01 113.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.69 102.95 2.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -128.43 115.06 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -92.39 37.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -72.13 -34.74 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.478 HG22 ' CD1' ' A' ' 30' ' ' ILE . 71.9 p -100.0 160.53 14.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.2 179.01 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -54.15 -39.91 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.5 -63.06 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.6 m -54.63 -57.13 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.66 -44.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.01 -38.77 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -62.51 -41.23 98.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.5 116.49 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.07 -35.13 79.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -136.54 153.14 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.1 t -41.89 114.41 1.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.89 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -119.77 -38.91 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -109.16 -1.51 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.9 m-85 50.64 25.74 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.989 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -92.28 111.45 23.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.5 t -39.8 129.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.8 mt -92.6 97.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -98.06 22.51 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.478 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 21.8 t80 -168.63 124.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -105.12 80.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.58 143.87 56.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -103.28 110.64 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.465 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 38.0 pt -92.26 162.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -133.69 80.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.19 -46.01 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -168.5 109.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -170.8 133.88 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.52 116.35 1.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -159.28 118.86 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -151.96 153.71 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.52 66.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -140.23 115.49 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.905 0.384 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp -126.41 86.94 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -173.06 124.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.35 108.8 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.95 166.09 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.412 HD11 ' NH1' ' A' ' 21' ' ' ARG . 31.6 mt -86.53 137.36 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.2 m -76.77 162.44 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.7 t -53.69 -40.03 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -48.69 -59.77 3.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.26 -60.25 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -39.4 -59.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CB ' ' HG3' ' A' ' 23' ' ' GLN . 7.1 mp -56.08 -43.3 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.13 -13.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' NH1' HD11 ' A' ' 13' ' ' ILE . 36.6 mtt85 -91.18 -46.98 7.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -51.56 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' HG3' ' CB ' ' A' ' 19' ' ' LEU . 24.8 mt-30 -53.97 -22.12 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.24 -30.05 38.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.35 6.15 41.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -111.61 -61.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.86 178.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.539 ' N ' HD21 ' A' ' 27' ' ' LEU . 19.3 t -44.68 155.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 32.3 mtmt -116.55 -36.45 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mp -60.48 -67.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -87.97 -34.26 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.3 mtp 60.71 44.91 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 -38.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 13.3 mmm180 -92.8 171.71 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' ILE . 1.7 p-10 -101.13 102.52 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 28' ' ' CYS . 1.7 pp -33.88 110.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -134.1 21.93 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.0 mm -143.34 146.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.548 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 1.6 m -118.05 174.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 25.9 m-85 -110.88 155.35 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.5 t -128.96 136.77 29.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.8 -51.45 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.229 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.342 -0.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.1 p -46.25 115.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.46 105.3 3.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.24 115.9 23.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.548 ' CD1' ' CG1' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -79.29 43.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.93 30.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -154.81 136.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 21.6 p -87.73 -178.16 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -40.74 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -72.55 -66.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.9 m -44.82 -63.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.1 -43.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.26 -49.05 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.75 129.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.1 -30.94 39.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.8 ptpt -140.29 143.44 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.67 118.76 0.48 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 4.17 2.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.455 ' HE2' ' CE ' ' A' ' 29' ' ' LYS . 9.1 mmt -124.56 -33.28 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.57 -0.42 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 20.7 m-85 48.58 25.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -91.12 116.0 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.52 146.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.418 HG12 ' CD1' ' A' ' 40' ' ' PHE . 14.4 mt -108.29 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.2 t -87.6 -22.15 24.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -125.75 136.33 53.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE2' ' C ' ' A' ' 53' ' ' ALA . 2.9 mmmp? -118.35 83.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -86.21 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.575 ' HE3' ' CZ ' ' A' ' 73' ' ' PHE . 28.3 ttpt -111.41 142.35 43.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 42.5 pt -96.35 159.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CZ ' ' HE3' ' A' ' 71' ' ' LYS . 38.9 m-85 -134.9 50.55 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.2 mmt -47.67 -41.89 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.829 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m -143.02 133.72 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -168.18 145.54 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.28 129.21 5.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -171.85 122.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -156.09 175.6 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.13 132.15 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.7 m -107.93 132.98 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.81 139.5 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -127.84 155.47 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -140.84 123.8 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -95.02 163.89 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 19.1 mt -96.51 142.22 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' ILE . 23.3 t -88.05 139.36 30.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 9.7 t -35.45 -35.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' SER . 34.8 mt-10 -57.04 -57.67 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 68.0 tt0 -70.83 -47.81 57.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 31.7 mt-30 -48.4 -58.72 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.5 mp -54.0 -48.51 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 14.1 mmt180 -48.03 -17.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -85.46 -55.91 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 -47.65 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.6 mt-30 -53.43 -28.76 31.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 10.9 pt-20 -83.67 12.05 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -120.96 -10.38 9.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' LEU . 24.4 pttt -114.77 -35.24 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.72 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.48 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -45.53 163.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -9.92 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CD1' ' CG2' ' A' ' 48' ' ' THR . 3.6 mp -94.08 -59.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -91.15 -36.87 13.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 6.3 mtt 59.86 39.56 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.58 -45.24 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -119.15 -179.85 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.93 155.06 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 2.7 pt -86.14 121.72 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 24.03 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.8 mm -147.24 150.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 70' ' ' GLN . 2.4 m -130.78 178.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 66' ' ' ILE . 20.6 m-85 -111.66 170.57 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 75.9 t -142.59 138.16 16.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.76 -49.51 0.23 Allowed 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.317 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.2 p -42.83 115.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.18 100.42 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -128.43 116.6 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.68 26.5 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.6 m -62.97 -20.93 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' CD1' ' A' ' 30' ' ' ILE . 72.0 p -114.84 156.32 25.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 p -94.37 -174.12 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -54.17 -39.61 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -73.97 -70.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLN . 56.4 m -37.12 -53.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.01 -42.9 29.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.5 mt-10 -68.08 -37.93 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.6 84.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.68 112.8 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.71 -38.41 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -111.74 155.69 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' TYR . 27.8 t -52.52 121.86 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 mmm -125.86 -31.42 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' THR . 7.0 m -117.83 9.99 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 37.8 29.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' CYS . 41.2 m -94.2 107.23 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -37.82 123.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 40' ' ' PHE . 9.1 mt -82.9 93.35 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -90.02 8.02 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 29.8 t80 -156.8 118.42 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 66' ' ' ILE . 14.3 mptt -100.59 78.23 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.615 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 61.8 tp60 -69.13 156.11 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.615 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 9.6 mttp -114.37 148.33 37.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 pt -121.39 -41.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 51.21 53.62 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.8 mmt -40.58 -47.4 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.795 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -171.51 147.69 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -166.8 175.56 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.46 114.02 2.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -152.22 124.76 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -165.48 145.16 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.96 154.88 13.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -143.74 164.28 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.53 158.88 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -144.22 158.76 43.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -173.79 146.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -154.14 164.52 38.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.465 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 41.9 mt -85.82 142.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 13' ' ' ILE . 60.7 m -80.21 170.44 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.438 HG22 ' CD ' ' A' ' 16' ' ' GLU . 15.2 t -64.65 -31.54 72.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' CD ' HG22 ' A' ' 15' ' ' THR . 19.9 mp0 -58.29 -63.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 9.4 tp10 -63.3 -53.13 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 32.5 mt-30 -44.69 -64.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.8 mp -49.91 -47.17 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -50.88 -15.96 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -86.89 -52.99 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.59 -49.11 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 19' ' ' LEU . 28.3 mt-30 -52.2 -29.68 23.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.38 19.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.47 -14.06 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' LEU . 46.4 mttt -101.41 -52.98 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.964 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -47.11 177.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.1 t -42.98 167.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -124.75 -35.39 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.68 -64.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -85.37 -40.76 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.478 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 2.5 mtt 60.97 45.74 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -40.14 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -110.31 165.18 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -86.83 119.67 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pp -45.2 118.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.02 26.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -147.6 145.18 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.59 179.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 66' ' ' ILE . 24.6 m-85 -115.98 167.19 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 48.6 t -139.55 137.09 18.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.63 0.729 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.78 -52.06 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.356 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -42.61 113.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.76 101.18 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -128.04 100.25 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' H ' ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.51 36.44 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 48' ' ' THR . 19.1 m -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 47' ' ' VAL . 56.9 p -94.69 152.88 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -83.98 179.04 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -56.45 -43.3 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.38 -54.99 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.7 m -59.14 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.05 -41.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.21 -42.25 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -64.15 -46.77 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.79 112.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.7 -38.46 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -132.06 157.78 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -42.79 121.47 2.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 5.39 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.9 mmt -128.28 -38.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 m -105.59 -7.45 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 7.3 m-85 52.89 34.78 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.8 m -96.74 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -40.07 121.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.1 mt -82.3 87.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 -33.62 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -118.08 133.23 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.77 81.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.21 153.24 44.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CE ' ' CE2' ' A' ' 73' ' ' PHE . 20.6 mtpp -111.35 115.96 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.4 pt -93.88 -41.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.508 ' CE2' ' CE ' ' A' ' 71' ' ' LYS . 27.0 m-85 49.85 50.93 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.2 mmt -39.67 -55.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p -111.95 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -173.25 177.91 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.61 -157.73 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -165.54 151.41 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -123.62 160.44 27.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.64 51.39 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.543 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -133.96 107.24 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.32 41.02 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -81.38 83.34 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.76 99.53 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -144.13 151.22 39.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 14' ' ' SER . 54.1 mt -89.93 153.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' HG21 ' A' ' 13' ' ' ILE . 1.4 t -99.91 152.97 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.6 t -48.84 -35.04 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -56.12 -52.86 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 11.5 tm-20 -70.83 -56.61 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 28.4 mt-30 -43.4 -62.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.9 mp -51.17 -45.4 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -54.41 -15.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 21' ' ' ARG . 53.9 mtp180 -90.01 -51.13 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.49 -52.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' LEU . 34.0 mt-30 -48.81 -48.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 5.2 pt-20 -51.37 -26.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.08 16.31 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -122.77 -58.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.38 -178.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.515 ' N ' HD23 ' A' ' 27' ' ' LEU . 17.4 t -44.65 158.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -121.86 -28.97 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 48' ' ' THR . 3.5 mp -67.3 -56.78 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -98.43 -37.65 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp 59.49 43.71 15.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.74 -43.23 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -109.31 166.21 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -87.94 128.64 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 HG21 ' C ' ' A' ' 27' ' ' LEU . 2.1 pp -54.85 126.54 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.29 16.72 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.0 mm -146.74 149.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 72' ' ' ILE . 2.5 m -122.88 177.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.1 m-85 -110.7 156.04 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 69.0 t -132.98 139.45 34.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.77 -47.5 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.4 p -46.6 116.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.25 101.86 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -131.32 110.7 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -93.1 47.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 3.1 m -89.45 10.13 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.404 ' CG2' HD13 ' A' ' 30' ' ' ILE . 52.9 p -141.32 161.33 38.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -102.92 165.96 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 32.0 mttm -36.2 -44.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.31 -67.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.8 m -51.56 -60.92 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -37.03 -36.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -81.57 -43.69 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -58.4 -46.3 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.19 115.57 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.14 -38.37 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -147.75 152.83 38.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.9 t -33.66 117.72 0.48 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 7.73 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.403 ' H ' ' C ' ' A' ' 59' ' ' CYS . 4.1 mmm -128.55 -38.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.3 m -105.66 -10.06 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.4 m-85 56.26 32.46 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.7 m -102.23 105.54 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t -42.35 124.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -69.92 93.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -84.96 12.98 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -169.31 122.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -97.0 89.97 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.45 ' HB3' ' CG2' ' A' ' 39' ' ' VAL . 18.1 tp60 -85.85 125.44 33.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -88.16 137.51 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.479 HG23 ' CG1' ' A' ' 39' ' ' VAL . 30.5 pt -105.71 164.19 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.28 45.56 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.2 mmt -38.37 -52.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.838 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -128.12 -61.5 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -168.11 160.42 11.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.26 89.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -163.8 114.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -121.4 156.74 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 95.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.0 t -156.06 129.8 8.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 9' ' ' LEU . 2.4 pt? -159.64 149.9 18.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.65 132.31 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG2' ' C ' ' A' ' 10' ' ' GLN . 25.0 mmmt -149.75 109.18 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.99 -177.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 53.8 mt -76.84 152.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.5 t -87.82 160.84 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 t -51.92 -37.81 54.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.7 -57.33 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 1.7 mp0 -66.96 -59.47 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -39.28 -62.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.0 mp -49.11 -51.85 29.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 5.9 mmm180 -48.39 -16.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 19' ' ' LEU . 75.1 mtp180 -87.5 -59.5 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -76.37 -47.15 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.455 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 36.1 mt-30 -46.93 -33.66 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -86.18 23.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.2 mt-10 -126.76 -16.54 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -101.22 -50.78 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.74 177.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.525 ' N ' HD22 ' A' ' 27' ' ' LEU . 18.5 t -43.32 163.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -119.11 -37.44 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.447 HD13 ' CG2' ' A' ' 48' ' ' THR . 2.2 mp -62.64 -69.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' N ' HG22 ' A' ' 30' ' ' ILE . 22.4 p -80.33 -41.36 24.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.0 mtp 63.92 42.26 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.07 -53.92 2.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HG3' ' CB ' ' A' ' 49' ' ' CYS . 3.8 ptm85 -109.0 -174.7 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.58 161.4 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 28' ' ' CYS . 3.8 pt -84.99 123.1 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.401 ' C ' HG12 ' A' ' 38' ' ' ILE . . . -135.01 20.86 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.401 HG12 ' C ' ' A' ' 37' ' ' ALA . 14.7 mm -147.61 151.44 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 72' ' ' ILE . 2.9 m -130.99 179.19 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 66' ' ' ILE . 18.5 m-85 -112.82 157.57 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 70.4 t -133.21 139.35 33.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.68 -51.36 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.37 -0.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.9 p -43.37 111.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.45 100.89 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -128.08 99.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.482 ' N ' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.18 46.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 m -87.59 11.25 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.447 ' CG2' HD13 ' A' ' 30' ' ' ILE . 61.0 p -142.93 158.98 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 25.0 p -97.0 -179.74 4.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -49.24 -44.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.42 -68.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' ALA . 61.6 m -46.96 -59.4 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.43 -38.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -78.13 -45.97 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.54 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.27 114.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.73 -35.11 78.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.1 ptpt -148.24 150.89 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 61' ' ' MET . 24.0 t -37.12 115.37 0.7 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 9.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.437 ' H ' ' C ' ' A' ' 59' ' ' CYS . 16.8 mtp -123.3 -43.52 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 m -106.99 -4.92 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 59' ' ' CYS . 12.9 m-85 54.22 33.19 17.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -97.32 111.89 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.3 t -42.36 120.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 40' ' ' PHE . 10.6 mt -75.71 89.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 68' ' ' PHE . 9.4 t -78.71 -33.05 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' N ' HG23 ' A' ' 67' ' ' THR . 26.0 t80 -119.24 127.77 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' CD ' HG23 ' A' ' 66' ' ' ILE . 4.4 mmmm -103.39 76.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 56.5 tp60 -62.35 152.23 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.455 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 25.4 mtpt -112.1 124.15 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 ' CG2' HG11 ' A' ' 39' ' ' VAL . 44.5 pt -113.28 156.73 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -134.98 35.4 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.2 ptp -64.69 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -170.13 160.03 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -126.36 -43.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.35 144.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -147.21 128.9 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -155.65 173.85 16.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.69 160.25 8.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t -103.42 173.25 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.1 mt -98.15 43.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -121.52 86.56 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -142.52 114.58 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -131.56 146.2 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 63.3 mt -74.5 156.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -92.45 151.66 20.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 t -52.75 -31.93 40.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.182 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.29 -54.44 46.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.45 -53.26 20.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 21.0 mt-30 -46.27 -64.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.6 mp -50.5 -45.62 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -51.9 -14.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 21' ' ' ARG . 40.9 mtp-105 -92.52 -50.49 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -48.47 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' LEU . 37.3 mt-30 -55.09 -28.49 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -80.16 7.71 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -115.49 -9.14 12.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LEU . 49.9 mttm -101.74 -56.54 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -48.94 -178.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' N ' HD23 ' A' ' 27' ' ' LEU . 10.5 t -43.04 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -129.06 -30.54 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.74 -65.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -85.92 -41.44 14.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mtp 60.32 46.4 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.16 -41.39 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -111.79 -174.27 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -101.58 121.44 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pp -49.44 121.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.98 27.0 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mm -147.47 152.83 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.42 178.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' HD12 ' A' ' 66' ' ' ILE . 18.1 m-85 -109.35 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 74.1 t -148.13 138.14 12.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.662 0.744 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -50.09 0.2 Allowed 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.341 -0.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.2 p -41.07 114.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.13 101.46 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -130.91 101.38 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' N ' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.61 49.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.07 7.76 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 6.7 p -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' CYS . 13.3 ttpt -33.71 -48.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.402 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 4.7 mt-30 -61.96 -60.96 2.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' ALA . 90.7 m -59.9 -61.84 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.88 -37.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.77 -43.6 36.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -63.75 -46.4 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 119.28 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -20.24 60.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 13.7 ptpt -160.06 144.13 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' LYS . 20.9 t -34.01 116.72 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.483 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.7 9.08 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 59' ' ' CYS . 43.6 mtm -127.08 -38.31 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.46 -5.23 16.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.6 m-85 52.29 39.66 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.2 m -104.29 109.37 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 66' ' ' ILE . 67.1 t -35.6 138.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' A' ' 40' ' ' PHE . 5.0 mm -77.46 92.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 t -87.69 2.5 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 40.4 t80 -166.31 163.07 17.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -135.0 79.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.37 131.49 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.47 132.1 40.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 HG12 ' C ' ' A' ' 37' ' ' ALA . 34.7 pt -105.29 164.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' MET . 44.9 m-85 -129.59 38.4 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' PHE . 24.3 mmt -33.21 -59.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' MET . 5.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p 45.63 42.23 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -166.17 165.35 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.19 104.67 1.62 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -132.56 99.91 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -168.7 144.2 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.813 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 111.22 0.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.0 p -157.66 161.55 38.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.945 0.403 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.84 117.34 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -163.96 135.08 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -164.85 129.64 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 13' ' ' ILE . 25.2 tt0 -121.66 153.57 37.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 8.6 mt -95.87 142.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 m -85.99 167.83 14.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 t -56.96 -35.01 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.62 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 14.2 tt0 -59.53 -46.54 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.8 mt-30 -49.95 -63.31 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.8 mp -52.26 -39.39 60.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -57.43 -11.65 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 13.9 ptt85 -94.81 -44.89 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.19 -50.05 6.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 36.9 mt-30 -54.91 -31.96 60.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.64 3.8 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -110.52 -21.49 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 23' ' ' GLN . 25.2 pttt -100.13 -39.97 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -51.32 -176.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.528 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.5 t -44.23 170.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -128.82 -26.58 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -81.77 -68.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -79.7 -37.33 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.5 mtt 56.63 45.03 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -115.03 -37.78 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -120.05 -174.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -103.38 120.17 40.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 1.6 pp -42.77 125.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.87 22.23 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 39' ' ' VAL . 33.0 mm -146.24 154.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' N ' HG23 ' A' ' 38' ' ' ILE . 2.9 m -129.78 177.57 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 66' ' ' ILE . 20.1 m-85 -111.38 172.35 6.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 72.2 t -142.98 137.82 15.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 -50.63 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.353 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -43.68 116.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.14 99.24 2.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -129.07 100.41 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -84.33 43.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.5 m -73.65 -33.19 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.3 p -105.15 150.69 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LYS . 27.5 p -85.49 155.53 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 pttt -38.05 -33.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 2.6 mt-30 -69.82 -58.33 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.05 -51.01 63.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.02 -47.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -61.19 -43.04 99.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.39 77.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 m -68.36 128.42 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.69 -29.5 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.1 ptpp? -147.78 150.78 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -35.23 121.57 0.61 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 5.19 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.1 mmt -126.53 -39.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 m -105.94 -6.23 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 53.58 31.32 12.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.6 m -97.25 106.24 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -39.24 128.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.0 mp -76.05 96.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 t -91.11 9.98 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.483 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 38.9 t80 -163.39 126.99 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -103.78 81.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -71.19 146.65 48.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -111.5 116.59 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.428 HG23 ' CG1' ' A' ' 39' ' ' VAL . 1.6 pp -109.09 170.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -134.96 86.18 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.45 ' SD ' ' CD1' ' A' ' 36' ' ' ILE . 5.4 mtt -87.25 -49.74 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -142.5 130.72 22.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -153.89 138.42 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.12 128.05 4.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.22 153.04 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -161.12 161.61 31.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.75 51.73 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -108.08 41.65 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.68 158.29 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -79.61 147.93 31.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -116.72 39.92 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 13' ' ' ILE . 10.7 tt0 -62.79 152.13 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 54.3 mt -78.14 154.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 t -90.38 153.56 20.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -44.59 -43.16 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -49.45 -57.9 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 1.1 mp0 -65.67 -60.86 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 30.8 mt-30 -40.39 -62.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.3 mp -50.71 -47.88 58.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -53.34 -14.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 65.8 mtp180 -91.4 -46.29 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -50.92 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' LEU . 29.6 mt-30 -50.11 -47.46 53.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 6.7 pt-20 -49.05 -33.68 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.6 mm-40 -85.22 22.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -133.09 -59.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -50.68 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.51 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.6 t -41.45 165.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -120.93 -42.5 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mp -60.52 -68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 p -80.07 -34.28 38.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 mtp 62.95 44.26 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -133.52 -60.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.39 -178.53 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.65 141.65 36.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 4.8 pt -72.92 114.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.85 18.33 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 39' ' ' VAL . 49.6 mm -142.65 142.07 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 38' ' ' ILE . 4.8 m -119.91 179.29 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 66' ' ' ILE . 21.3 m-85 -116.22 161.88 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 42' ' ' PRO . 19.8 t -132.94 136.62 27.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.541 ' N ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.73 -55.3 0.14 OUTLIER 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.355 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.4 p -40.79 109.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.65 100.95 2.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -125.4 100.68 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.88 39.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.87 16.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.4 p -139.63 161.74 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 p -108.68 160.46 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -62.46 -57.36 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ALA . 66.5 m -70.96 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.21 -44.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.57 -46.85 71.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -59.21 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -68.51 120.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.47 -36.01 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -133.22 152.65 51.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' H ' ' A' ' 61' ' ' MET . 11.7 t -42.13 115.7 1.59 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.77 9.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.438 ' H ' ' C ' ' A' ' 59' ' ' CYS . 13.3 mmt -127.66 -39.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -104.97 -10.52 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 58.83 32.73 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' VAL . 47.1 m -98.9 109.73 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' THR . 95.7 t -36.67 117.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 ' CE1' ' A' ' 40' ' ' PHE . 13.1 mt -77.95 83.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 t -72.58 -31.27 65.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -125.43 135.82 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -115.95 85.65 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -70.58 129.38 39.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 73' ' ' PHE . 2.4 ttpm? -94.6 116.21 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 73' ' ' PHE . 2.1 pp -105.02 173.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 71' ' ' LYS . 26.9 m-85 -133.29 82.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.469 ' CE ' HD13 ' A' ' 72' ' ' ILE . 6.2 mtt -87.86 -47.47 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.848 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -131.3 94.12 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -96.26 160.02 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.9 108.29 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -115.05 127.32 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -48.25 122.98 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.98 -111.14 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.415 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m -108.8 148.57 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.397 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -124.52 104.75 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -109.95 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -127.67 111.29 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -127.79 153.87 46.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 mt -99.3 138.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -81.44 174.49 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 t -67.58 -31.57 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.99 -54.58 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 10.9 tt0 -73.25 -55.02 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 34.4 mt-30 -42.09 -48.72 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' HG ' ' NE2' ' A' ' 23' ' ' GLN . 3.1 mp -65.64 -48.27 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 1.3 ptt85 -52.9 -14.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 14.6 mtp-105 -87.34 -46.18 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -94.77 -53.04 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 29.8 mt-30 -52.16 -17.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 11.7 pt-20 -83.81 -29.57 27.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.47 2.4 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -106.54 -62.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.5 -175.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.549 ' N ' HD21 ' A' ' 27' ' ' LEU . 12.2 t -49.52 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 18.5 mtmt -128.44 -23.12 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mp -77.18 -65.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -88.54 -36.52 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mtp 58.76 44.37 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -119.74 -37.19 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 28.6 mtt85 -119.39 152.22 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.63 125.13 27.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.1 pp -48.32 126.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.17 12.68 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.7 mm -144.09 149.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 3.4 m -116.71 174.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 15.6 m-85 -109.39 152.06 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 87.2 t -128.32 139.13 34.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.712 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 -49.95 0.21 Allowed 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.333 -0.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.7 p -49.62 115.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.08 104.56 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -121.88 112.97 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD11 ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.83 46.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG1' ' HE2' ' A' ' 29' ' ' LYS . 32.0 m -110.64 23.59 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 p -152.23 139.48 19.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -91.59 161.8 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' CYS . 8.3 mtpm? -36.35 -46.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -62.01 -62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 94.4 m -55.46 -63.19 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -37.91 -45.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.26 -38.09 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.53 -47.12 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.31 122.7 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.97 -30.49 66.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.5 ptpt -134.12 142.43 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.4 t -35.05 116.63 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.73 4.11 2.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.396 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mmm -122.86 -31.12 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -116.84 2.73 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.3 m-85 45.68 26.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.436 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 28.5 m -89.37 114.06 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -38.4 133.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CD1' ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -102.53 104.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -107.84 22.58 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 17.2 t80 -163.45 145.4 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -130.25 92.78 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -92.56 152.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 24.0 ttmt -97.66 151.88 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.591 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 2.7 pp -113.71 -178.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' N ' HD13 ' A' ' 72' ' ' ILE . 60.6 m-85 -157.97 105.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.0 mmt -121.77 -35.44 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 -179.835 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -171.75 157.76 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -168.44 171.84 8.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.85 169.08 41.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -160.19 157.34 28.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -162.03 162.25 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.62 -140.27 3.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -166.3 133.64 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -93.58 76.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -161.05 141.46 11.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -166.22 149.8 7.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -157.46 154.59 28.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 20.9 mt -91.03 145.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 t -86.8 154.02 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 t -44.63 -35.18 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.1 -59.1 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.6 mm-40 -66.3 -59.72 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -38.89 -63.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 7.3 mp -51.91 -45.33 64.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -55.49 -11.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 19' ' ' LEU . 70.1 mtp85 -96.39 -49.98 4.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -85.85 -46.2 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 26' ' ' LYS . 40.2 mt-30 -57.34 -12.57 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -95.69 -31.33 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.94 12.5 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -127.17 -43.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -53.68 176.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.544 ' N ' HD23 ' A' ' 27' ' ' LEU . 14.9 t -37.39 155.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -119.34 -28.99 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.35 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -89.2 -33.53 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 mtp 57.65 45.92 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -124.72 -40.95 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -107.19 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -96.7 142.72 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 46' ' ' LEU . 4.5 pt -69.98 114.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 20.77 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' CG2' ' HE2' ' A' ' 69' ' ' LYS . 29.2 mm -144.71 139.22 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 70' ' ' GLN . 2.8 m -116.07 178.36 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 66' ' ' ILE . 31.8 m-85 -114.85 157.09 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 42' ' ' PRO . 3.6 t -129.79 136.78 29.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' N ' HG12 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.347 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.3 p -42.98 113.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.93 103.22 3.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -129.01 99.34 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.48 44.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.06 13.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.4 p -138.62 159.56 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.9 p -105.74 159.27 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 49' ' ' CYS . 5.7 mmmm -33.99 -41.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.9 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' ALA . 77.8 m -55.66 -66.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.42 -34.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' CYS . 7.5 mm-40 -76.55 -43.56 38.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -68.69 -44.42 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.8 m -63.79 120.06 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.24 -30.3 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.5 ptpt -146.56 145.81 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.91 116.39 0.48 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 8.84 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.42 ' H ' ' C ' ' A' ' 59' ' ' CYS . 3.3 mtt -125.43 -41.59 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.08 -17.73 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' CYS . 18.9 m-85 67.96 27.26 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' VAL . 34.9 m -94.41 101.02 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' THR . 79.0 t -34.19 122.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.503 ' CG1' ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -57.23 94.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 -30.07 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -147.75 131.27 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HE2' ' CG2' ' A' ' 38' ' ' ILE . 6.6 tptm -98.32 97.58 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 35.1 tp60 -91.45 137.21 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -95.71 143.32 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.6 pt -119.46 169.62 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.67 50.24 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -38.52 -49.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -173.08 110.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -88.76 42.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 103.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -150.83 171.3 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -141.33 155.27 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.05 47.43 1.04 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.6 t -152.46 119.79 5.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -126.26 148.85 49.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -154.76 131.46 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.65 151.15 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.94 165.5 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -90.33 140.01 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.1 p -71.4 177.94 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -69.71 -32.44 71.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -57.08 -57.54 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -45.82 -63.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.3 mp -50.72 -45.51 58.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 18.6 mmt85 -52.81 -15.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -88.28 -49.98 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.74 -49.63 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' LEU . 32.6 mt-30 -52.46 -41.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 14.9 pt-20 -57.55 -26.35 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.46 8.06 38.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' LEU . 39.1 mttm -112.9 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -48.6 179.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.543 ' N ' HD23 ' A' ' 27' ' ' LEU . 10.8 t -43.9 168.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -123.94 -38.88 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.77 -66.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -80.9 -42.93 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.437 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtp 60.42 45.61 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.71 -40.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -116.81 151.44 36.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -67.87 143.89 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -82.9 140.85 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.7 11.94 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 24.2 mm -133.13 148.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 2.4 m -116.84 178.32 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 18.3 m-85 -113.0 151.24 30.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 68.8 t -127.84 137.5 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 -50.45 0.19 OUTLIER 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.294 -0.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.6 p -49.27 116.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.73 106.56 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -123.91 112.01 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' N ' HD13 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -75.33 47.73 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.81 14.16 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.559 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 2.1 p -143.87 128.46 18.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.7 p -88.78 169.5 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.7 mtmm -41.94 -46.37 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.83 -65.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 92.6 m -56.07 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.91 -40.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 50' ' ' LYS . 35.2 mm-40 -70.11 -42.94 72.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.78 -48.16 83.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -75.06 121.11 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.64 -33.56 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -132.25 145.33 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -37.77 113.1 0.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.541 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 8.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.412 ' H ' ' C ' ' A' ' 59' ' ' CYS . 3.6 mtt -123.14 -38.36 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.23 -2.1 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 54.35 25.24 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.9 m -90.04 110.22 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -38.43 132.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 40' ' ' PHE . 11.6 mt -92.59 95.39 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 t -93.95 18.91 9.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -166.51 152.22 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -129.93 105.53 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.08 154.1 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 73' ' ' PHE . 11.4 ptpt -120.59 126.77 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.547 ' CG2' ' CG1' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -82.1 -30.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.511 ' CZ ' ' HD3' ' A' ' 71' ' ' LYS . 5.0 m-85 60.43 53.78 4.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 mtt -46.88 -54.12 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.813 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m 58.93 42.19 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 p -124.6 165.91 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.3 107.44 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -159.35 151.26 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -153.81 135.4 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.04 98.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -103.68 144.34 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.39 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 9' ' ' LEU . 7.1 mp -95.76 93.17 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -64.98 126.91 29.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -151.08 130.08 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.05 152.99 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -86.76 155.03 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.8 p -87.39 164.83 16.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -58.35 -35.52 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.56 -54.69 42.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.01 -54.38 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' HA ' ' CD ' ' A' ' 21' ' ' ARG . 29.2 mt-30 -45.13 -61.25 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.0 mp -49.87 -48.17 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -51.71 -15.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' CD ' ' HA ' ' A' ' 18' ' ' GLN . 39.2 mtp85 -84.5 -54.86 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.48 -48.75 8.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' LEU . 33.6 mt-30 -47.53 -52.2 18.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 13.5 pt-20 -49.74 -30.75 9.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.53 19.01 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -125.43 -56.52 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -62.61 -175.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.513 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.9 t -43.59 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -120.75 -38.59 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.97 -72.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -72.17 -41.37 67.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.439 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 12.5 mtp 61.6 42.63 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -119.31 -51.77 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -109.09 167.22 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' ND2' ' H ' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -66.88 158.1 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -72.45 -79.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' C ' HG12 ' A' ' 38' ' ' ILE . . . 58.06 25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.43 HG12 ' C ' ' A' ' 37' ' ' ALA . 14.7 mm -148.37 145.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.86 177.09 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' HG12 ' A' ' 66' ' ' ILE . 23.8 m-85 -116.51 156.37 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.4 t -129.35 136.8 29.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.587 0.708 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.81 -53.49 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.35 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.5 p -41.44 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.57 100.39 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -122.42 109.88 14.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.32 66.62 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.36 -28.61 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -100.68 153.37 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.01 176.36 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HA ' HG13 ' A' ' 38' ' ' ILE . 2.1 ttpm? -48.46 -26.7 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -86.09 -68.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 67.0 m -48.93 -54.2 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.58 -44.74 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.15 -42.03 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.78 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.02 122.4 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.03 -33.03 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 5.2 ptpp? -141.72 150.02 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 61' ' ' MET . 19.1 t -35.61 114.49 0.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.735 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.4 Cg_endo -69.69 10.31 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.441 ' H ' ' C ' ' A' ' 59' ' ' CYS . 2.4 mtt -126.08 -39.5 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -105.93 -14.3 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m-85 67.4 25.9 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.401 ' C ' ' HB2' ' A' ' 58' ' ' LYS . 23.1 m -91.98 122.37 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.5 t -45.2 125.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.558 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.3 mt -89.69 86.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -82.3 -27.15 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -117.1 133.39 56.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' CE ' HG21 ' A' ' 66' ' ' ILE . 22.3 mmtp -114.86 70.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.22 155.21 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -125.28 89.27 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 73' ' ' PHE . 22.4 pt -59.26 -44.17 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.453 ' N ' HG13 ' A' ' 72' ' ' ILE . 7.8 m-85 58.94 45.93 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 73' ' ' PHE . 16.9 mmt -33.64 -56.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.821 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -62.86 -54.76 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m 55.31 42.16 30.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.62 -131.65 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 59.98 42.29 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -138.02 152.28 48.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.74 114.63 3.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -79.79 158.76 26.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.36 131.73 55.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -137.15 137.59 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -131.15 126.97 37.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -148.03 154.15 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 4.3 mt -90.05 151.7 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -99.37 161.0 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.4 t -52.57 -33.04 44.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.16 -58.65 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 3.4 tp10 -68.19 -58.24 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -39.39 -61.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.3 mp -52.76 -48.1 67.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -51.31 -15.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 41.8 mtp85 -86.58 -52.99 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -48.02 7.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.3 mt-30 -51.72 -45.31 63.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.56 1.1 20.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 7.0 mm-40 -105.1 -22.94 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 51.2 pttt -101.24 -44.05 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.2 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.518 ' O ' HD21 ' A' ' 27' ' ' LEU . 9.2 t -43.21 170.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 25.4 mtmt -131.51 -34.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.43 HD11 ' CE ' ' A' ' 61' ' ' MET . 2.5 mp -71.75 -64.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -87.63 -37.04 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.4 mtp 61.32 45.13 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.59 -52.55 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -107.11 156.94 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.93 147.56 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pp -78.77 120.89 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 23.32 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -147.68 151.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.66 178.04 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 66' ' ' ILE . 26.6 m-85 -111.13 165.05 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 71.0 t -136.82 139.08 27.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.76 -47.13 0.32 Allowed 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.348 -0.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.6 p -45.4 115.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.16 104.11 3.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -126.42 102.28 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.482 ' H ' ' CD1' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.63 34.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.462 ' CG1' ' HE2' ' A' ' 29' ' ' LYS . 26.1 m -83.32 -25.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.468 ' CG2' ' HE2' ' A' ' 61' ' ' MET . 81.8 p -100.74 157.71 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.0 p -104.73 158.84 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' CYS . 20.1 ttpt -33.85 -49.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -53.94 -65.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.69 -58.53 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.75 -44.82 3.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -70.67 -43.81 68.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.56 86.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.73 122.43 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.74 21.17 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' N ' HD12 ' A' ' 66' ' ' ILE . 7.4 ptpp? -175.26 130.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' TYR . 32.1 t -42.18 113.87 1.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.482 ' HG2' ' CE ' ' A' ' 61' ' ' MET . 53.9 Cg_endo -69.8 1.19 4.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.482 ' CE ' ' HG2' ' A' ' 60' ' ' PRO . 1.8 mpt? -105.92 -38.64 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.53 -6.29 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' CYS . 8.4 m-85 58.65 24.98 12.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.0 m -94.43 115.19 27.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.8 124.2 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 40' ' ' PHE . 6.9 mt -81.14 90.59 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.1 t -83.55 17.06 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.46 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 22.9 t80 -167.03 131.88 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -106.3 61.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 152.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -118.52 131.44 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 pt -104.07 -40.71 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' MET . 27.4 m-85 59.11 38.89 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 73' ' ' PHE . 17.6 mmt -33.77 -50.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -165.02 145.78 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -174.08 171.98 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.36 152.99 24.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -157.56 131.44 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -169.06 140.34 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.33 148.06 5.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 m -75.55 114.9 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.43 97.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -115.97 139.21 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.56 130.95 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -146.34 151.47 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.409 ' CG2' ' CB ' ' A' ' 17' ' ' GLU . 27.4 mt -75.37 142.21 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 t -80.61 155.77 26.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 t -46.38 -40.88 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -50.79 -59.81 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CB ' ' CG2' ' A' ' 13' ' ' ILE . 3.8 mp0 -64.02 -55.27 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -46.06 -61.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.8 mp -48.49 -53.58 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 27.9 mmt180 -43.93 -20.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' LEU . 54.0 mtm180 -81.67 -59.62 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -46.18 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.2 mt-30 -53.13 -26.67 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 7.8 pt-20 -93.97 -11.79 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.46 18.69 20.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 10.4 pttp -130.9 -30.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -79.68 -178.43 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.547 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -44.12 168.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -128.47 -27.22 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.3 -59.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -94.03 -36.17 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 23.7 mtp 59.03 45.71 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 -41.98 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD2' ' CD ' ' A' ' 51' ' ' GLN . 52.3 mtt-85 -118.49 160.73 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -77.64 131.47 37.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 28' ' ' CYS . 2.3 pp -57.93 123.92 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.97 22.38 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.488 ' CD1' ' HG2' ' A' ' 71' ' ' LYS . 44.0 mm -142.66 153.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.513 ' CG1' HD12 ' A' ' 46' ' ' LEU . 1.4 m -121.58 176.95 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 20.3 m-85 -116.96 150.68 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 55.0 t -127.08 139.05 34.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 54.1 Cg_endo -69.74 -48.72 0.26 Allowed 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.373 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 40' ' ' PHE . 17.4 p -51.57 116.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -97.73 107.84 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -128.09 109.76 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD12 ' CG1' ' A' ' 39' ' ' VAL . 2.2 mm? -76.29 50.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 m -110.3 17.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.549 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 p -147.12 139.46 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' CYS . 32.1 p -90.85 151.57 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -40.54 -33.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.426 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 30.8 mt-30 -67.69 -41.64 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' CYS . 66.9 m -82.49 -53.15 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.01 -43.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -64.88 -47.33 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.85 -46.78 89.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.51 114.95 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.85 -36.48 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.1 ptpp? -138.33 151.2 47.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -34.75 117.36 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.78 8.52 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.42 ' H ' ' C ' ' A' ' 59' ' ' CYS . 28.7 mmm -128.77 -37.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.0 m -107.59 -7.41 16.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.5 m-85 55.11 30.01 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' VAL . 59.3 m -96.38 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' THR . 88.2 t -36.05 139.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.535 HD12 ' CE1' ' A' ' 40' ' ' PHE . 15.4 mt -100.62 89.16 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 t -92.83 19.45 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -173.03 124.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -110.64 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.79 169.71 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 27.9 mtpt -129.9 130.16 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.472 HG23 ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -82.08 165.62 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' MET . 46.4 m-85 -135.02 46.92 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 73' ' ' PHE . 21.1 mmt -35.65 -58.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.771 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -144.39 165.14 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -158.53 162.21 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.68 61.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -95.48 82.11 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -164.02 127.66 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.59 105.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -119.54 94.58 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -152.33 112.86 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.2 138.71 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -132.59 121.93 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -130.42 175.21 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 6.7 mt -88.09 148.67 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -93.66 154.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 t -46.39 -42.19 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -45.55 -61.29 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 19.7 tt0 -67.17 -58.54 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.83 -63.71 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 mp -55.47 -41.93 73.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.19 -12.12 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -91.54 -51.54 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.1 OUTLIER -83.37 -49.03 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -49.48 -20.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.02 23.73 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 27.5 mt-10 -126.1 -27.53 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 27' ' ' LEU . 19.4 pttp -98.24 -47.27 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -44.11 171.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.586 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.8 t -43.46 163.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -120.67 -31.01 4.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.7 -66.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -85.64 -38.26 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.414 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 40.8 mtp 61.69 40.49 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.79 -51.74 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 9.2 ptm180 -113.64 175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -81.76 149.25 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 28' ' ' CYS . 2.5 pp -75.2 121.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.97 29.11 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 46' ' ' LEU . 27.2 mm -147.67 144.44 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 46' ' ' LEU . 2.0 m -113.56 178.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 21.5 m-85 -115.38 154.07 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 58.3 t -129.24 137.39 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.77 -50.91 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.0 p -48.57 116.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.19 105.46 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.82 113.16 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 38' ' ' ILE . 1.1 mm? -84.24 67.17 9.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.7 m -119.84 1.58 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.464 ' OG1' ' CZ ' ' A' ' 40' ' ' PHE . 3.0 p -131.4 152.11 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.92 -175.01 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -60.13 -43.46 95.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' NE2' ' HD3' ' A' ' 34' ' ' ARG . 2.7 mp0 -65.78 -62.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 85.1 m -54.7 -57.94 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.96 -46.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.89 -42.42 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.28 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 m -67.84 120.97 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.8 ptpt -137.77 144.04 41.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -34.87 118.91 0.57 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.75 4.37 2.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.9 mtm -121.9 -37.99 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -111.68 0.91 16.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.8 m-85 47.72 30.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 47.6 m -89.35 114.26 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.1 t -39.57 115.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.553 HD11 ' CE1' ' A' ' 40' ' ' PHE . 19.8 mt -85.07 94.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -95.81 19.7 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -164.58 156.64 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -133.51 88.35 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.654 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 38.1 tp60 -88.41 158.06 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.654 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 14.5 mtpt -120.42 143.61 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -93.02 160.17 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' MET . 30.0 m-85 -128.71 42.99 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' PHE . 8.3 mmt -35.01 -45.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -121.89 142.09 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -171.51 153.41 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 158.72 9.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -168.88 120.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -151.76 177.57 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.45 150.74 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -81.49 136.88 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 mt -124.77 104.22 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -89.07 120.42 30.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -106.18 113.25 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -152.25 152.5 32.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 10.6 mt -91.98 153.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.5 p -107.26 149.99 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 t -43.12 -32.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.33 -57.51 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.19 -52.34 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 36.1 mt-30 -46.22 -61.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HB3' ' CD ' ' A' ' 23' ' ' GLN . 5.6 mp -50.44 -47.64 56.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -50.71 -15.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtp-105 -86.81 -64.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.31 -45.56 66.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' CD ' ' HB3' ' A' ' 19' ' ' LEU . 38.3 mt-30 -47.58 -32.54 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.42 30.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.02 -32.38 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 8.6 pttm -96.11 -43.47 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.4 172.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.528 ' N ' HD21 ' A' ' 27' ' ' LEU . 11.0 t -41.07 145.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -101.79 -33.15 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 48' ' ' THR . 3.6 mp -68.39 -77.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 30' ' ' ILE . 14.4 p -74.24 -30.33 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.442 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 26.9 mtp 56.38 43.77 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.29 -51.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -95.42 168.43 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.1 142.54 28.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 28' ' ' CYS . 2.3 pp -77.31 119.58 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . -134.97 23.43 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mm -143.23 146.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.99 179.09 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CD1' ' CD1' ' A' ' 66' ' ' ILE . 21.6 m-85 -118.97 154.48 32.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.532 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 54.3 t -130.16 140.32 38.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -51.62 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.301 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 19.7 p -42.01 107.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.5 102.49 2.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -130.12 96.91 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' N ' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.27 45.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 32.1 m -98.51 26.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.47 HG21 ' CD1' ' A' ' 30' ' ' ILE . 40.9 p -146.61 146.98 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' LYS . 29.1 p -98.54 158.23 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' CYS . 39.6 mmtt -34.27 -48.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.43 -60.58 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ALA . 74.9 m -64.38 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.8 -39.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.67 -44.28 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.1 m -71.63 116.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -67.07 -34.93 78.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.6 ptpt -137.0 150.46 48.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 12.0 t -36.06 115.96 0.62 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.482 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 6.46 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.218 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.3 mmt -123.6 -37.14 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.74 -1.92 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.3 m-85 52.01 26.84 3.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.0 m -92.96 113.44 25.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.7 t -40.86 125.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.596 ' CD1' ' CD1' ' A' ' 40' ' ' PHE . 12.9 mt -90.01 90.84 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -81.08 -24.28 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -124.36 130.02 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HD2' ' CG2' ' A' ' 66' ' ' ILE . 1.6 mptt -113.86 97.88 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -91.86 144.47 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HD2' ' CD1' ' A' ' 73' ' ' PHE . 3.3 ttmm -101.48 127.27 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.603 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.5 pt -107.95 -39.53 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.633 ' CD1' ' HD2' ' A' ' 71' ' ' LYS . 0.4 OUTLIER 26.71 54.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.488 ' C ' ' O ' ' A' ' 73' ' ' PHE . 21.5 mmt -30.86 -55.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.813 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.667 ' O ' HD22 ' A' ' 27' ' ' LEU . 12.8 t -45.34 153.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.004 HD13 HG22 ' A' ' 48' ' ' THR . 2.8 mp -70.42 -58.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.12 -28.38 14.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.4 mtp 55.03 42.66 30.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -121.09 -44.89 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 53.1 mtp180 -104.97 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -95.91 145.54 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -72.21 115.42 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.778 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.67 21.24 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mm -147.16 147.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.0 m -117.53 178.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 66' ' ' ILE . 22.8 m-85 -116.51 156.8 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.706 HG13 ' HA ' ' A' ' 42' ' ' PRO . 77.8 t -130.43 138.55 33.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.648 0.737 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.706 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -50.87 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.355 -0.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.0 p -44.91 114.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.48 97.25 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -125.92 102.57 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.61 34.1 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.91 4.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.004 HG22 HD13 ' A' ' 30' ' ' ILE . 40.3 p -130.64 158.43 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -99.01 171.82 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -42.88 -49.69 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 77.4 mt-30 -59.68 -69.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ALA . 99.1 m -50.41 -62.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.08 -44.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.04 -42.41 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.56 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 m -76.59 120.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.53 -36.84 76.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.8 ptpt -130.12 145.07 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.5 t -35.69 118.54 0.64 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 mmt -123.32 -36.54 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.7 m -109.4 2.51 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 45.24 25.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 42' ' ' PRO . 98.9 m -91.4 111.22 22.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' THR . 92.7 t -36.31 135.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.9 mt -100.89 93.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 t -95.58 22.05 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.1 t80 -168.14 127.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -109.19 80.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.72 ' HB3' HG22 ' A' ' 39' ' ' VAL . 49.8 tp60 -73.64 139.51 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -108.69 125.56 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.778 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.58 ' O ' HD22 ' A' ' 27' ' ' LEU . 15.8 t -45.83 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -127.35 -27.48 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 48' ' ' THR . 3.2 mp -72.54 -55.56 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.71 -27.15 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.1 mtp 51.84 42.32 29.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.24 -45.35 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 11.8 mtp-105 -102.69 -175.5 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.49 148.62 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.727 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.8 pt -74.82 112.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.1 22.91 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 71' ' ' LYS . 23.6 mm -146.54 149.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.3 m -127.15 178.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.631 ' CE1' HD13 ' A' ' 66' ' ' ILE . 20.9 m-85 -116.42 163.53 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 1.9 t -134.02 137.81 29.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.71 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.8 p -42.18 116.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.48 100.38 2.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -125.07 108.71 12.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.727 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.46 45.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.61 22.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.719 HG22 HD13 ' A' ' 30' ' ' ILE . 62.7 p -148.28 155.52 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.0 p -103.21 163.28 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' CYS . 17.4 mtmm -36.87 -41.77 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.74 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' ALA . 98.9 m -55.7 -61.12 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.18 -39.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.65 -44.15 44.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.55 -44.51 96.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -77.29 115.3 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -66.8 -32.53 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -137.09 155.25 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 63' ' ' TYR . 13.3 t -43.87 118.02 2.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.39 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.65 -36.84 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 m -112.33 1.9 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.0 m-85 46.6 30.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -94.6 118.24 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.08 125.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.631 HD13 ' CE1' ' A' ' 40' ' ' PHE . 9.4 mt -92.38 88.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.8 t -80.27 -29.95 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.435 ' HE2' HE21 ' A' ' 70' ' ' GLN . 31.4 t80 -113.9 133.61 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -112.4 84.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.569 ' HB3' HG22 ' A' ' 39' ' ' VAL . 6.9 tp-100 -82.09 132.28 35.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 38' ' ' ILE . 17.2 ttmt -93.37 141.8 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.3 pp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.754 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -37.74 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -122.21 -27.68 4.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.8 mp -74.5 -63.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.57 -33.9 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.455 ' HA ' HD21 ' A' ' 27' ' ' LEU . 27.0 mtp 60.86 44.75 10.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.68 -48.33 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -101.97 166.62 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.3 113.5 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 pp -43.87 121.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 15.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -137.6 149.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 72' ' ' ILE . 3.1 m -118.45 179.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.0 m-85 -115.52 155.3 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 ' HA ' ' A' ' 42' ' ' PRO . 73.7 t -129.43 139.26 35.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.739 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.72 -51.32 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.361 -0.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.4 p -44.1 111.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.43 103.47 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -134.3 102.3 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.12 43.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.27 18.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -145.02 146.31 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -94.06 154.33 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' CYS . 28.4 ttmt -33.47 -45.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.36 -61.76 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.8 m -57.69 -55.95 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.22 -36.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.6 -42.7 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -65.95 -46.16 79.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.2 m -67.48 122.52 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 -35.65 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.2 ptpt -145.68 153.84 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -35.67 116.16 0.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.69 5.93 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mmm -124.21 -41.89 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 m -103.4 -20.3 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 67.99 25.02 7.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 42' ' ' PRO . 55.3 m -88.25 103.84 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' THR . 74.7 t -33.04 107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 40' ' ' PHE . 20.2 mt -50.02 97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -78.89 -28.94 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' A' ' 41' ' ' VAL . 43.4 t80 -148.65 157.28 43.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -129.62 89.08 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -80.58 134.06 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -86.62 132.95 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.423 HG23 HG13 ' A' ' 39' ' ' VAL . 43.2 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.836 0.35 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.5 t -42.12 168.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -25.74 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.03 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -76.81 -59.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.3 p -90.52 -28.75 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.442 ' HA ' HD21 ' A' ' 27' ' ' LEU . 21.3 mtp 53.94 44.49 29.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -133.38 -48.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -87.72 -175.0 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -110.2 140.52 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.602 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -74.51 112.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.32 23.7 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mm -145.97 146.29 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.1 m -117.38 178.86 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.5 m-85 -116.55 163.98 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.0 t -134.31 138.58 30.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.716 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.81 -50.65 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.341 -0.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.3 p -47.01 113.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.69 102.95 2.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -128.43 115.06 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.709 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -92.39 37.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 48' ' ' THR . 5.1 m -72.13 -34.74 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.03 HG22 HD13 ' A' ' 30' ' ' ILE . 71.9 p -100.0 160.53 14.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.2 179.01 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -54.15 -39.91 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.5 -63.06 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.6 m -54.63 -57.13 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.66 -44.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.01 -38.77 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -62.51 -41.23 98.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.9 m -81.5 116.49 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.07 -35.13 79.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -136.54 153.14 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.1 t -41.89 114.41 1.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.89 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -119.77 -38.91 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -109.16 -1.51 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.9 m-85 50.64 25.74 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.989 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.436 HG21 ' HD2' ' A' ' 42' ' ' PRO . 89.5 m -92.28 111.45 23.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.5 t -39.8 129.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.665 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.8 mt -92.6 97.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -98.06 22.51 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HB3' HG21 ' A' ' 41' ' ' VAL . 21.8 t80 -168.63 124.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -105.12 80.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -66.58 143.87 56.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -103.28 110.64 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.622 ' CG2' HG13 ' A' ' 39' ' ' VAL . 38.0 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.674 ' N ' HG23 ' A' ' 36' ' ' ILE . 19.3 t -44.68 155.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -116.55 -36.45 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.2 mp -60.48 -67.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -87.97 -34.26 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.3 mtp 60.71 44.91 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 -38.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 13.3 mmm180 -92.8 171.71 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' ILE . 1.7 p-10 -101.13 102.52 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 pp -33.88 110.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . . . -134.1 21.93 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 71' ' ' LYS . 39.0 mm -143.34 146.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 46' ' ' LEU . 1.6 m -118.05 174.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HZ ' HG21 ' A' ' 48' ' ' THR . 25.9 m-85 -110.88 155.35 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.5 t -128.96 136.77 29.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.8 -51.45 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.229 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.342 -0.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 18.1 p -46.25 115.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.46 105.3 3.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.41 ' NE2' ' SG ' ' A' ' 62' ' ' CYS . 91.3 m-70 -122.24 115.9 23.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -79.29 43.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.93 30.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.712 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 1.1 p -154.81 136.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 21.6 p -87.73 -178.16 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -55.46 -40.74 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -72.55 -66.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.9 m -44.82 -63.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.428 ' C ' ' HE2' ' A' ' 69' ' ' LYS . . . -36.1 -43.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.26 -49.05 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.75 129.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.1 -30.94 39.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.8 ptpt -140.29 143.44 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.67 118.76 0.48 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.527 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 4.17 2.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.1 mmt -124.56 -33.28 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' SG ' ' NE2' ' A' ' 45' ' ' HIS . 7.8 m -112.57 -0.42 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 20.7 m-85 48.58 25.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -91.12 116.0 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.52 146.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 ' HD3' ' A' ' 69' ' ' LYS . 14.4 mt -108.29 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.2 t -87.6 -22.15 24.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 18.3 t80 -125.75 136.33 53.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' HD3' HG21 ' A' ' 66' ' ' ILE . 2.9 mmmp? -118.35 83.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -86.21 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HA ' HD13 ' A' ' 38' ' ' ILE . 28.3 ttpt -111.41 142.35 43.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 46' ' ' LEU . 42.5 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HG23 ' A' ' 36' ' ' ILE . 11.4 t -45.53 163.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -9.92 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.064 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -94.08 -59.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -91.15 -36.87 13.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 6.3 mtt 59.86 39.56 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.58 -45.24 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -119.15 -179.85 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.93 155.06 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.7 pt -86.14 121.72 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 24.03 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.8 mm -147.24 150.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.4 m -130.78 178.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 20.6 m-85 -111.66 170.57 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.9 t -142.59 138.16 16.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.76 -49.51 0.23 Allowed 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.317 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.2 p -42.83 115.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.18 100.42 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -128.43 116.6 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.789 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.68 26.5 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 48' ' ' THR . 3.6 m -62.97 -20.93 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.064 HG22 HD13 ' A' ' 30' ' ' ILE . 72.0 p -114.84 156.32 25.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 p -94.37 -174.12 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -54.17 -39.61 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -73.97 -70.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLN . 56.4 m -37.12 -53.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.01 -42.9 29.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.5 mt-10 -68.08 -37.93 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.6 84.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.0 m -105.68 112.8 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.5 m-20 -64.71 -38.41 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -111.74 155.69 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' TYR . 27.8 t -52.52 121.86 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.554 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 mmm -125.86 -31.42 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' THR . 7.0 m -117.83 9.99 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 37.8 29.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' CYS . 41.2 m -94.2 107.23 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -37.82 123.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG12 ' CD1' ' A' ' 40' ' ' PHE . 9.1 mt -82.9 93.35 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -90.02 8.02 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 29.8 t80 -156.8 118.42 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -100.59 78.23 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.692 ' HB3' HG22 ' A' ' 39' ' ' VAL . 61.8 tp60 -69.13 156.11 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.639 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 9.6 mttp -114.37 148.33 37.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.1 t -42.98 167.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -124.75 -35.39 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.905 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -68.68 -64.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -85.37 -40.76 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 2.5 mtt 60.97 45.74 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -40.14 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -110.31 165.18 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -86.83 119.67 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pp -45.2 118.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.02 26.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -147.6 145.18 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 46' ' ' LEU . 2.2 m -123.59 179.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 66' ' ' ILE . 24.6 m-85 -115.98 167.19 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 42' ' ' PRO . 48.6 t -139.55 137.09 18.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.63 0.729 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.646 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.78 -52.06 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.356 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.5 p -42.61 113.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.76 101.18 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.404 ' NE2' ' SG ' ' A' ' 62' ' ' CYS . 95.8 m-70 -128.04 100.25 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.51 36.44 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 48' ' ' THR . 19.1 m -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.905 HG22 HD13 ' A' ' 30' ' ' ILE . 56.9 p -94.69 152.88 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -83.98 179.04 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -56.45 -43.3 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.38 -54.99 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.7 m -59.14 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.05 -41.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.21 -42.25 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -64.15 -46.77 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -76.79 112.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.7 -38.46 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -132.06 157.78 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -42.79 121.47 2.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 48' ' ' THR . 53.4 Cg_endo -69.76 5.39 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.9 mmt -128.28 -38.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.404 ' SG ' ' NE2' ' A' ' 45' ' ' HIS . 8.0 m -105.59 -7.45 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 7.3 m-85 52.89 34.78 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 42' ' ' PRO . 27.8 m -96.74 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -40.07 121.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.557 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.1 mt -82.3 87.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 -33.62 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -118.08 133.23 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.77 81.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -67.21 153.24 44.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -111.35 115.96 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.4 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.768 ' N ' HG23 ' A' ' 36' ' ' ILE . 17.4 t -44.65 158.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -121.86 -28.97 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.956 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -67.3 -56.78 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -98.43 -37.65 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp 59.49 43.71 15.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.74 -43.23 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -109.31 166.21 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -87.94 128.64 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.782 HG22 ' O ' ' A' ' 48' ' ' THR . 2.1 pp -54.85 126.54 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.29 16.72 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.686 HD13 ' HA ' ' A' ' 71' ' ' LYS . 34.0 mm -146.74 149.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.5 m -122.88 177.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.1 m-85 -110.7 156.04 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 69.0 t -132.98 139.45 34.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.77 -47.5 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.4 p -46.6 116.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.25 101.86 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.32 110.7 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.1 47.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 3.1 m -89.45 10.13 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.956 HG22 HD13 ' A' ' 30' ' ' ILE . 52.9 p -141.32 161.33 38.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -102.92 165.96 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 32.0 mttm -36.2 -44.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -67.31 -67.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.8 m -51.56 -60.92 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -37.03 -36.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -81.57 -43.69 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -58.4 -46.3 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.9 m -68.19 115.57 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.14 -38.37 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.66 ' HZ2' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -147.75 152.83 38.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.9 t -33.66 117.72 0.48 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 7.73 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -128.55 -38.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.3 m -105.66 -10.06 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 56.26 32.46 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.7 m -102.23 105.54 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' HZ2' ' A' ' 58' ' ' LYS . 47.0 t -42.35 124.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -69.92 93.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -84.96 12.98 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -169.31 122.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -97.0 89.97 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.764 ' HB3' HG22 ' A' ' 39' ' ' VAL . 6.7 tp-100 -85.85 125.44 33.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.686 ' HA ' HD13 ' A' ' 38' ' ' ILE . 20.3 ttmt -88.16 137.51 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 36' ' ' ILE . 30.5 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 27' ' ' LEU . 18.5 t -43.32 163.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -119.11 -37.44 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.865 HD13 HG22 ' A' ' 48' ' ' THR . 2.2 mp -62.64 -69.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' ILE . 22.4 p -80.33 -41.36 24.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.0 mtp 63.92 42.26 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.07 -53.92 2.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 49' ' ' CYS . 3.8 ptm85 -109.0 -174.7 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.58 161.4 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.8 pt -84.99 123.1 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.01 20.86 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -147.61 151.44 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -130.99 179.19 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.423 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.5 m-85 -112.82 157.57 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 70.4 t -133.21 139.35 33.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.68 -51.36 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.37 -0.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.9 p -43.37 111.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.45 100.89 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -128.08 99.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.753 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.18 46.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 61' ' ' MET . 5.3 m -87.59 11.25 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.865 HG22 HD13 ' A' ' 30' ' ' ILE . 61.0 p -142.93 158.98 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 25.0 p -97.0 -179.74 4.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -49.24 -44.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.42 -68.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' ALA . 61.6 m -46.96 -59.4 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.43 -38.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -78.13 -45.97 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.54 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -65.27 114.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.73 -35.11 78.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.1 ptpt -148.24 150.89 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LYS . 24.0 t -37.12 115.37 0.7 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 9.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 47' ' ' VAL . 16.8 mtp -123.3 -43.52 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 m -106.99 -4.92 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 54.22 33.19 17.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -97.32 111.89 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.3 t -42.36 120.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.423 HG12 ' CD1' ' A' ' 40' ' ' PHE . 10.6 mt -75.71 89.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -78.71 -33.05 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -119.24 127.77 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -103.39 76.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 56.5 tp60 -62.35 152.23 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 25.4 mtpt -112.1 124.15 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.5 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.662 ' N ' HG23 ' A' ' 36' ' ' ILE . 10.5 t -43.04 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -129.06 -30.54 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -73.74 -65.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -85.92 -41.44 14.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mtp 60.32 46.4 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.16 -41.39 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -174.27 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -101.58 121.44 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 28' ' ' CYS . 1.3 pp -49.44 121.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.98 27.0 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 71' ' ' LYS . 24.3 mm -147.47 152.83 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 46' ' ' LEU . 3.4 m -130.42 178.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 66' ' ' ILE . 18.1 m-85 -109.35 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.697 HG13 ' HA ' ' A' ' 42' ' ' PRO . 74.1 t -148.13 138.14 12.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.662 0.744 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.697 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -50.09 0.2 Allowed 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.341 -0.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.2 p -41.07 114.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.13 101.46 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' NE2' ' SG ' ' A' ' 62' ' ' CYS . 94.5 m-70 -130.91 101.38 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.61 49.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CE ' ' A' ' 61' ' ' MET . 35.6 m -95.07 7.76 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 30' ' ' ILE . 6.7 p -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' CYS . 13.3 ttpt -33.71 -48.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.96 -60.96 2.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' ALA . 90.7 m -59.9 -61.84 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.88 -37.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.77 -43.6 36.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -63.75 -46.4 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.2 m -59.82 119.28 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -20.24 60.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 13.7 ptpt -160.06 144.13 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' LYS . 20.9 t -34.01 116.72 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.7 9.08 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.429 ' CE ' HG11 ' A' ' 47' ' ' VAL . 43.6 mtm -127.08 -38.31 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' SG ' ' NE2' ' A' ' 45' ' ' HIS . 7.7 m -108.46 -5.23 16.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.6 m-85 52.29 39.66 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.2 m -104.29 109.37 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' THR . 67.1 t -35.6 138.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 40' ' ' PHE . 5.0 mm -77.46 92.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 t -87.69 2.5 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 40.4 t80 -166.31 163.07 17.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 66' ' ' ILE . 2.5 mptm? -135.0 79.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -76.37 131.49 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -95.47 132.1 40.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.441 HG12 ' C ' ' A' ' 37' ' ' ALA . 34.7 pt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.854 0.359 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.5 t -44.23 170.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -128.82 -26.58 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.856 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -81.77 -68.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -79.7 -37.33 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.5 mtt 56.63 45.03 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -115.03 -37.78 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -120.05 -174.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -103.38 120.17 40.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 46' ' ' LEU . 1.6 pp -42.77 125.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.609 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.87 22.23 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.609 HD13 ' O ' ' A' ' 37' ' ' ALA . 33.0 mm -146.24 154.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -129.78 177.57 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 66' ' ' ILE . 20.1 m-85 -111.38 172.35 6.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 42' ' ' PRO . 72.2 t -142.98 137.82 15.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 -50.63 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.353 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.5 p -43.68 116.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.14 99.24 2.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -129.07 100.41 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -84.33 43.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.735 HG23 HG23 ' A' ' 48' ' ' THR . 16.5 m -73.65 -33.19 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.856 HG22 HD13 ' A' ' 30' ' ' ILE . 34.3 p -105.15 150.69 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LYS . 27.5 p -85.49 155.53 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 pttt -38.05 -33.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 2.6 mt-30 -69.82 -58.33 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.05 -51.01 63.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.02 -47.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -61.19 -43.04 99.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.39 77.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 m -68.36 128.42 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.0 m-20 -75.69 -29.5 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' ILE . 8.1 ptpp? -147.78 150.78 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.0 t -35.23 121.57 0.61 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 5.19 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.1 mmt -126.53 -39.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 m -105.94 -6.23 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 53.58 31.32 12.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.6 m -97.25 106.24 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -39.24 128.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.0 mp -76.05 96.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 t -91.11 9.98 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 38.9 t80 -163.39 126.99 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -103.78 81.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB3' HG22 ' A' ' 39' ' ' VAL . 30.9 tp60 -71.19 146.65 48.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -111.5 116.59 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.55 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.6 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.606 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -41.45 165.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -120.93 -42.5 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.78 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -60.52 -68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 p -80.07 -34.28 38.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 mtp 62.95 44.26 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -133.52 -60.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 0.8 OUTLIER -71.39 -178.53 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.65 141.65 36.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.8 pt -72.92 114.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.85 18.33 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.783 HD11 ' HE2' ' A' ' 50' ' ' LYS . 49.6 mm -142.65 142.07 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 70' ' ' GLN . 4.8 m -119.91 179.29 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.524 ' CD1' HG12 ' A' ' 66' ' ' ILE . 21.3 m-85 -116.22 161.88 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 42' ' ' PRO . 19.8 t -132.94 136.62 27.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.73 -55.3 0.14 OUTLIER 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.355 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.506 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 15.4 p -40.79 109.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.65 100.95 2.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -125.4 100.68 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.785 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.88 39.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.87 16.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD13 ' A' ' 30' ' ' ILE . 58.4 p -139.63 161.74 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 34' ' ' ARG . 31.6 p -108.68 160.46 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.783 ' HE2' HD11 ' A' ' 38' ' ' ILE . 14.2 mmtt -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -62.46 -57.36 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ALA . 66.5 m -70.96 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.21 -44.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.57 -46.85 71.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -59.21 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -68.51 120.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.47 -36.01 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -133.22 152.65 51.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.7 t -42.13 115.7 1.59 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.77 9.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.3 mmt -127.66 -39.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -104.97 -10.52 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 58.83 32.73 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' VAL . 47.1 m -98.9 109.73 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' THR . 95.7 t -36.67 117.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 40' ' ' PHE . 13.1 mt -77.95 83.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 t -72.58 -31.27 65.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -125.43 135.82 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -115.95 85.65 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 2.0 tm0? -70.58 129.38 39.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.4 ttpm? -94.6 116.21 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.846 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.686 ' N ' HG23 ' A' ' 36' ' ' ILE . 12.2 t -49.52 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 18.5 mtmt -128.44 -23.12 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.689 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -77.18 -65.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -88.54 -36.52 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mtp 58.76 44.37 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -119.74 -37.19 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 28.6 mtt85 -119.39 152.22 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.63 125.13 27.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.1 pp -48.32 126.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.17 12.68 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 71' ' ' LYS . 26.7 mm -144.09 149.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.815 HG12 HD12 ' A' ' 46' ' ' LEU . 3.4 m -116.71 174.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 66' ' ' ILE . 15.6 m-85 -109.39 152.06 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 42' ' ' PRO . 87.2 t -128.32 139.13 34.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.712 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.73 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 -49.95 0.21 Allowed 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.333 -0.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.7 p -49.62 115.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.08 104.56 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -121.88 112.97 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.864 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.83 46.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 61' ' ' MET . 32.0 m -110.64 23.59 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.689 HG22 HD13 ' A' ' 30' ' ' ILE . 3.1 p -152.23 139.48 19.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -91.59 161.8 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' CYS . 8.3 mtpm? -36.35 -46.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -62.01 -62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 94.4 m -55.46 -63.19 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -37.91 -45.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.26 -38.09 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.53 -47.12 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 60' ' ' PRO . 35.4 m -82.31 122.7 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.97 -30.49 66.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.5 ptpt -134.12 142.43 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.4 t -35.05 116.63 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.73 4.11 2.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.396 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.502 ' HG3' HG21 ' A' ' 47' ' ' VAL . 35.9 mmm -122.86 -31.12 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -116.84 2.73 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.3 m-85 45.68 26.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 28.5 m -89.37 114.06 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -38.4 133.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -102.53 104.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -107.84 22.58 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.2 t80 -163.45 145.4 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -130.25 92.78 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -92.56 152.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 24.0 ttmt -97.66 151.88 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 HG13 ' A' ' 39' ' ' VAL . 2.7 pp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.635 ' N ' HD22 ' A' ' 27' ' ' LEU . 14.9 t -37.39 155.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -119.34 -28.99 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.668 HD13 HG22 ' A' ' 48' ' ' THR . 4.2 mp -68.35 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -89.2 -33.53 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 mtp 57.65 45.92 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -124.72 -40.95 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -107.19 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -96.7 142.72 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.596 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.5 pt -69.98 114.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 20.77 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.883 HG21 ' HE2' ' A' ' 69' ' ' LYS . 29.2 mm -144.71 139.22 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.8 m -116.07 178.36 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 66' ' ' ILE . 31.8 m-85 -114.85 157.09 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 3.6 t -129.79 136.78 29.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.347 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 15.3 p -42.98 113.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.93 103.22 3.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -129.01 99.34 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.48 44.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.06 13.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.668 HG22 HD13 ' A' ' 30' ' ' ILE . 44.4 p -138.62 159.56 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.9 p -105.74 159.27 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HD3' HD11 ' A' ' 38' ' ' ILE . 5.7 mmmm -33.99 -41.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.9 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' ALA . 77.8 m -55.66 -66.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 48' ' ' THR . . . -35.42 -34.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' CYS . 7.5 mm-40 -76.55 -43.56 38.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -68.69 -44.42 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -63.79 120.06 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.24 -30.3 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 66' ' ' ILE . 12.5 ptpt -146.56 145.81 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.8 t -33.91 116.39 0.48 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 8.84 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.3 mtt -125.43 -41.59 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.08 -17.73 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 67.96 27.26 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' VAL . 34.9 m -94.41 101.02 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' THR . 79.0 t -34.19 122.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 58' ' ' LYS . 4.7 mp -57.23 94.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 -30.07 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 49.3 t80 -147.75 131.27 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.883 ' HE2' HG21 ' A' ' 38' ' ' ILE . 6.6 tptm -98.32 97.58 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' HG22 ' A' ' 39' ' ' VAL . 8.9 tp-100 -91.45 137.21 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.71 143.32 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.6 pt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.152 179.804 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.8 t -43.9 168.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -123.94 -38.88 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.569 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.9 mp -63.77 -66.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -80.9 -42.93 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtp 60.42 45.61 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.71 -40.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -116.81 151.44 36.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -67.87 143.89 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.9 140.85 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.7 11.94 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 24.2 mm -133.13 148.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 HD12 ' A' ' 46' ' ' LEU . 2.4 m -116.84 178.32 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 18.3 m-85 -113.0 151.24 30.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 42' ' ' PRO . 68.8 t -127.84 137.5 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.673 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 -50.45 0.19 OUTLIER 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.294 -0.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.6 p -49.27 116.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.73 106.56 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' NE2' ' SG ' ' A' ' 62' ' ' CYS . 90.2 m-70 -123.91 112.01 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.832 HD12 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -75.33 47.73 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.81 14.16 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.542 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 2.1 p -143.87 128.46 18.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.7 p -88.78 169.5 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.7 mtmm -41.94 -46.37 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.83 -65.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 92.6 m -56.07 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.91 -40.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 50' ' ' LYS . 35.2 mm-40 -70.11 -42.94 72.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.78 -48.16 83.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -75.06 121.11 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.64 -33.56 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -132.25 145.33 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -37.77 113.1 0.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 8.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.6 mtt -123.14 -38.36 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 45' ' ' HIS . 7.8 m -112.23 -2.1 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 54.35 25.24 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.427 HG21 ' HD2' ' A' ' 42' ' ' PRO . 82.9 m -90.04 110.22 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -38.43 132.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.513 ' CD1' ' CE1' ' A' ' 40' ' ' PHE . 11.6 mt -92.59 95.39 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 t -93.95 18.91 9.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -166.51 152.22 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -129.93 105.53 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -109.08 154.1 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 11.4 ptpt -120.59 126.77 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.596 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.9 t -43.59 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -120.75 -38.59 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.672 HD13 HG22 ' A' ' 48' ' ' THR . 3.0 mp -67.97 -72.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -72.17 -41.37 67.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 12.5 mtp 61.6 42.63 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -119.31 -51.77 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -109.09 167.22 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -66.88 158.1 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER -72.45 -79.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' C ' HG12 ' A' ' 38' ' ' ILE . . . 58.06 25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' NZ ' ' A' ' 71' ' ' LYS . 14.7 mm -148.37 145.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.7 m -133.86 177.09 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' HG12 ' A' ' 66' ' ' ILE . 23.8 m-85 -116.51 156.37 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.4 t -129.35 136.8 29.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.587 0.708 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.81 -53.49 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.35 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 15.5 p -41.44 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.57 100.39 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' NE2' ' SG ' ' A' ' 62' ' ' CYS . 92.1 m-70 -122.42 109.88 14.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.32 66.62 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG23 HG23 ' A' ' 48' ' ' THR . 27.3 m -111.36 -28.61 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 30' ' ' ILE . 69.0 p -100.68 153.37 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.01 176.36 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' ILE . 2.1 ttpm? -48.46 -26.7 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -86.09 -68.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 67.0 m -48.93 -54.2 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.58 -44.74 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.15 -42.03 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.78 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -74.02 122.4 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.03 -33.03 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 5.2 ptpp? -141.72 150.02 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LYS . 19.1 t -35.61 114.49 0.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.735 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.4 Cg_endo -69.69 10.31 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 mtt -126.08 -39.5 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.419 ' SG ' ' NE2' ' A' ' 45' ' ' HIS . 8.1 m -105.93 -14.3 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 67.4 25.9 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 42' ' ' PRO . 23.1 m -91.98 122.37 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 58' ' ' LYS . 91.5 t -45.2 125.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.3 mt -89.69 86.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -82.3 -27.15 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -117.1 133.39 56.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -114.86 70.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.582 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -61.22 155.21 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 24.9 mtpp -125.28 89.27 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.425 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 22.4 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.2 t -43.21 170.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 25.4 mtmt -131.51 -34.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HG22 ' A' ' 48' ' ' THR . 2.5 mp -71.75 -64.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -87.63 -37.04 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.4 mtp 61.32 45.13 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.59 -52.55 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -107.11 156.94 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.93 147.56 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 46' ' ' LEU . 2.2 pp -78.77 120.89 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 23.32 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -147.68 151.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.6 m -127.66 178.04 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.496 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.6 m-85 -111.13 165.05 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 42' ' ' PRO . 71.0 t -136.82 139.08 27.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.726 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.76 -47.13 0.32 Allowed 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.348 -0.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.6 p -45.4 115.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.16 104.11 3.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -126.42 102.28 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.853 ' HB2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -83.63 34.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 HG23 ' A' ' 48' ' ' THR . 26.1 m -83.32 -25.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.876 HG22 HD13 ' A' ' 30' ' ' ILE . 81.8 p -100.74 157.71 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.0 p -104.73 158.84 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' CYS . 20.1 ttpt -33.85 -49.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -53.94 -65.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' HG22 ' A' ' 56' ' ' VAL . 71.9 m -59.69 -58.53 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.75 -44.82 3.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -70.67 -43.81 68.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.56 86.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.5 m -84.73 122.43 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.74 21.17 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -175.26 130.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' TYR . 32.1 t -42.18 113.87 1.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HG2' ' CE ' ' A' ' 61' ' ' MET . 53.9 Cg_endo -69.8 1.19 4.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.569 ' CE ' HD11 ' A' ' 30' ' ' ILE . 1.8 mpt? -105.92 -38.64 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.53 -6.29 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' CYS . 8.4 m-85 58.65 24.98 12.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.0 m -94.43 115.19 27.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.8 124.2 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 40' ' ' PHE . 6.9 mt -81.14 90.59 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.1 t -83.55 17.06 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 22.9 t80 -167.03 131.88 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -106.3 61.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -48.94 152.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -118.52 131.44 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.855 0.36 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.602 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -44.12 168.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -128.47 -27.22 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.773 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -76.3 -59.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -94.03 -36.17 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 23.7 mtp 59.03 45.71 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 -41.98 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 51' ' ' GLN . 52.3 mtt-85 -118.49 160.73 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -77.64 131.47 37.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.002 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.3 pp -57.93 123.92 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.686 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.97 22.38 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.527 HD13 ' O ' ' A' ' 37' ' ' ALA . 44.0 mm -142.66 153.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 46' ' ' LEU . 1.4 m -121.58 176.95 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 20.3 m-85 -116.96 150.68 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.74 HG13 ' HA ' ' A' ' 42' ' ' PRO . 55.0 t -127.08 139.05 34.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.74 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.1 Cg_endo -69.74 -48.72 0.26 Allowed 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.373 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 40' ' ' PHE . 17.4 p -51.57 116.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -97.73 107.84 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -128.09 109.76 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.002 ' HB3' HD13 ' A' ' 36' ' ' ILE . 2.2 mm? -76.29 50.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 61' ' ' MET . 27.9 m -110.3 17.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.773 HG22 HD13 ' A' ' 30' ' ' ILE . 1.7 p -147.12 139.46 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' CYS . 32.1 p -90.85 151.57 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -40.54 -33.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 30.8 mt-30 -67.69 -41.64 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' CYS . 66.9 m -82.49 -53.15 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.01 -43.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -64.88 -47.33 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.85 -46.78 89.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.9 m -73.51 114.95 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.85 -36.48 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.1 ptpp? -138.33 151.2 47.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -34.75 117.36 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.78 8.52 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.416 ' HG3' HG21 ' A' ' 47' ' ' VAL . 28.7 mmm -128.77 -37.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.0 m -107.59 -7.41 16.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.5 m-85 55.11 30.01 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' VAL . 59.3 m -96.38 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' THR . 88.2 t -36.05 139.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.426 HD13 ' CE1' ' A' ' 40' ' ' PHE . 15.4 mt -100.62 89.16 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 t -92.83 19.45 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -173.03 124.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -110.64 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -92.79 169.71 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 27.9 mtpt -129.9 130.16 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.785 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.748 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.639 ' O ' HD22 ' A' ' 27' ' ' LEU . 11.8 t -43.46 163.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -120.67 -31.01 4.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.807 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -71.7 -66.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -85.64 -38.26 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.426 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 40.8 mtp 61.69 40.49 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.79 -51.74 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -113.64 175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -81.76 149.25 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.932 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.5 pp -75.2 121.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.97 29.11 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.2 mm -147.67 144.44 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 46' ' ' LEU . 2.0 m -113.56 178.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.591 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 21.5 m-85 -115.38 154.07 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 42' ' ' PRO . 58.3 t -129.24 137.39 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.77 -50.91 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.0 p -48.57 116.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.19 105.46 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.41 ' NE2' ' SG ' ' A' ' 62' ' ' CYS . 91.8 m-70 -125.82 113.16 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.932 ' HB3' HD13 ' A' ' 36' ' ' ILE . 1.1 mm? -84.24 67.17 9.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.7 m -119.84 1.58 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.807 HG22 HD13 ' A' ' 30' ' ' ILE . 3.0 p -131.4 152.11 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.92 -175.01 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -60.13 -43.46 95.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -65.78 -62.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 85.1 m -54.7 -57.94 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.96 -46.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.89 -42.42 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.28 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.8 m -67.84 120.97 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.8 ptpt -137.77 144.04 41.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -34.87 118.91 0.57 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.591 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.75 4.37 2.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.9 mtm -121.9 -37.99 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' SG ' ' NE2' ' A' ' 45' ' ' HIS . 7.8 m -111.68 0.91 16.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.8 m-85 47.72 30.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 47.6 m -89.35 114.26 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.1 t -39.57 115.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 40' ' ' PHE . 19.8 mt -85.07 94.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -95.81 19.7 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.407 ' HE2' HE21 ' A' ' 70' ' ' GLN . 17.0 t80 -164.58 156.64 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -133.51 88.35 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.634 ' HB3' HG22 ' A' ' 39' ' ' VAL . 8.7 tp-100 -88.41 158.06 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 14.5 mtpt -120.42 143.61 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.847 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.85 0.357 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.547 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.0 t -41.07 145.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -101.79 -33.15 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -68.39 -77.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 30' ' ' ILE . 14.4 p -74.24 -30.33 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 26.9 mtp 56.38 43.77 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.29 -51.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -95.42 168.43 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.1 142.54 28.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -77.31 119.58 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . -134.97 23.43 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.636 HD11 ' NZ ' ' A' ' 50' ' ' LYS . 24.1 mm -143.23 146.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 46' ' ' LEU . 1.3 m -123.99 179.09 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.6 m-85 -118.97 154.48 32.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 42' ' ' PRO . 54.3 t -130.16 140.32 38.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.784 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -51.62 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.301 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 19.7 p -42.01 107.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.5 102.49 2.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -130.12 96.91 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.702 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.27 45.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.471 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 32.1 m -98.51 26.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -146.61 146.98 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' LYS . 29.1 p -98.54 158.23 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.636 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 39.6 mmtt -34.27 -48.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -57.43 -60.58 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ALA . 74.9 m -64.38 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.8 -39.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.67 -44.28 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.1 m -71.63 116.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -67.07 -34.93 78.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.6 ptpt -137.0 150.46 48.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' TYR . 12.0 t -36.06 115.96 0.62 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 6.46 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.218 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.3 mmt -123.6 -37.14 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.74 -1.92 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.3 m-85 52.01 26.84 3.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.0 m -92.96 113.44 25.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.7 t -40.86 125.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.748 HG22 ' HD2' ' A' ' 69' ' ' LYS . 12.9 mt -90.01 90.84 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -81.08 -24.28 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -124.36 130.02 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.748 ' HD2' HG22 ' A' ' 66' ' ' ILE . 1.6 mptt -113.86 97.88 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -91.86 144.47 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 3.3 ttmm -101.48 127.27 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -136.31 156.23 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -139.5 169.19 18.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.95 95.75 1.45 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -139.02 105.39 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -129.59 151.76 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 96.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -93.43 143.89 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.73 94.67 9.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -157.61 160.0 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -170.34 145.08 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.22 152.84 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 7.6 mt -98.23 141.09 16.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 m -84.02 165.18 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 t -58.12 -28.9 65.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.19 -64.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 6.2 tp10 -63.7 -55.2 25.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -41.5 -63.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.7 mp -52.6 -45.18 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -54.03 -15.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 14.5 mtp-105 -88.46 -52.92 4.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.95 -50.62 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.0 mt-30 -51.17 -31.38 19.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -98.42 28.03 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.41 -25.82 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 27' ' ' LEU . 9.2 pttm -104.55 -39.17 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -49.26 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.667 ' O ' HD22 ' A' ' 27' ' ' LEU . 12.8 t -45.34 153.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.004 HD13 HG22 ' A' ' 48' ' ' THR . 2.8 mp -70.42 -58.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.12 -28.38 14.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.4 mtp 55.03 42.66 30.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -121.09 -44.89 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 53.1 mtp180 -104.97 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -95.91 145.54 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -72.21 115.42 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.778 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.67 21.24 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mm -147.16 147.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.0 m -117.53 178.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 66' ' ' ILE . 22.8 m-85 -116.51 156.8 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.706 HG13 ' HA ' ' A' ' 42' ' ' PRO . 77.8 t -130.43 138.55 33.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.648 0.737 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.706 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -50.87 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.355 -0.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.0 p -44.91 114.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.48 97.25 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 43' ' ' CYS . 52.8 m80 -125.92 102.57 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.61 34.1 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.91 4.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.004 HG22 HD13 ' A' ' 30' ' ' ILE . 40.3 p -130.64 158.43 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -99.01 171.82 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -42.88 -49.69 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 77.4 mt-30 -59.68 -69.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ALA . 99.1 m -50.41 -62.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.08 -44.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.04 -42.41 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.56 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 m -76.59 120.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.53 -36.84 76.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.8 ptpt -130.12 145.07 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.5 t -35.69 118.54 0.64 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 mmt -123.32 -36.54 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.7 m -109.4 2.51 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 45.24 25.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 42' ' ' PRO . 98.9 m -91.4 111.22 22.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' THR . 92.7 t -36.31 135.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.9 mt -100.89 93.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 t -95.58 22.05 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.1 t80 -168.14 127.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -109.19 80.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.72 ' HB3' HG22 ' A' ' 39' ' ' VAL . 49.8 tp60 -73.64 139.51 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -108.69 125.56 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.778 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -97.84 167.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -129.82 52.44 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . 2.7 mtt -50.94 -53.12 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' MET . 1.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -119.29 109.76 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -87.62 -45.76 10.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.48 111.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -117.07 110.72 18.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.917 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -98.9 139.25 34.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.84 145.01 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -108.77 169.43 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 mt -116.22 100.36 7.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -131.97 91.5 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -149.47 120.92 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.54 165.87 26.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 54.5 mt -91.81 140.03 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.6 m -79.37 166.98 21.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.417 ' O ' HD13 ' A' ' 19' ' ' LEU . 14.6 t -58.99 -26.27 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -66.15 -57.1 8.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.37 -52.01 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 70.0 mt-30 -46.77 -61.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.0 mp -52.55 -41.35 63.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 1.9 ttt180 -57.91 -15.67 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -86.75 -47.79 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -52.19 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' LEU . 10.0 mt-30 -50.3 -53.65 27.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 27' ' ' LEU . 8.9 pt-20 -47.88 -24.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.56 23.31 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' GLN . 50.4 mttm -132.68 -59.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -54.75 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.58 ' O ' HD22 ' A' ' 27' ' ' LEU . 15.8 t -45.83 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -127.35 -27.48 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 48' ' ' THR . 3.2 mp -72.54 -55.56 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.71 -27.15 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.1 mtp 51.84 42.32 29.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.24 -45.35 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 11.8 mtp-105 -102.69 -175.5 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.49 148.62 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.727 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.8 pt -74.82 112.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.1 22.91 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 71' ' ' LYS . 23.6 mm -146.54 149.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.3 m -127.15 178.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.631 ' CE1' HD13 ' A' ' 66' ' ' ILE . 20.9 m-85 -116.42 163.53 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 1.9 t -134.02 137.81 29.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.71 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.8 p -42.18 116.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.48 100.38 2.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -125.07 108.71 12.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.727 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.46 45.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.61 22.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.719 HG22 HD13 ' A' ' 30' ' ' ILE . 62.7 p -148.28 155.52 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.0 p -103.21 163.28 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' CYS . 17.4 mtmm -36.87 -41.77 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.74 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' ALA . 98.9 m -55.7 -61.12 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.18 -39.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.65 -44.15 44.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.55 -44.51 96.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -77.29 115.3 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -66.8 -32.53 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -137.09 155.25 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 63' ' ' TYR . 13.3 t -43.87 118.02 2.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.39 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.65 -36.84 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 m -112.33 1.9 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.0 m-85 46.6 30.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -94.6 118.24 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.08 125.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.631 HD13 ' CE1' ' A' ' 40' ' ' PHE . 9.4 mt -92.38 88.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.8 t -80.27 -29.95 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.435 ' HE2' HE21 ' A' ' 70' ' ' GLN . 31.4 t80 -113.9 133.61 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -112.4 84.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.569 ' HB3' HG22 ' A' ' 39' ' ' VAL . 6.9 tp-100 -82.09 132.28 35.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 38' ' ' ILE . 17.2 ttmt -93.37 141.8 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.745 HD13 ' CE ' ' A' ' 74' ' ' MET . 2.3 pp -126.66 -177.73 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' N ' HD12 ' A' ' 72' ' ' ILE . 68.4 m-85 -156.72 105.66 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.745 ' CE ' HD13 ' A' ' 72' ' ' ILE . 20.9 mmt -95.0 -50.3 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -143.95 136.71 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -122.7 175.35 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.55 51.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -100.5 42.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 110.878 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -156.85 126.45 6.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.12 56.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 99.2 p -60.06 101.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -37.28 114.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' N ' HD13 ' A' ' 9' ' ' LEU . 40.1 tt0 -54.33 133.03 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -144.76 123.35 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -130.96 169.87 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 53.0 mt -87.1 137.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.4 t -77.22 162.17 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 t -49.77 -37.39 29.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -53.13 -65.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.0 mt-10 -61.1 -56.01 25.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -42.53 -64.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.7 mp -48.23 -51.23 26.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -46.96 -18.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -81.65 -56.46 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -86.49 -47.23 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 11.1 mt-30 -51.64 -23.8 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 4.4 pt-20 -90.73 -20.15 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -94.61 14.71 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 19.0 pttt -134.99 -41.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -56.77 -178.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.754 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -37.74 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -122.21 -27.68 4.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.8 mp -74.5 -63.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.57 -33.9 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.455 ' HA ' HD21 ' A' ' 27' ' ' LEU . 27.0 mtp 60.86 44.75 10.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.68 -48.33 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -101.97 166.62 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.3 113.5 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 pp -43.87 121.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 15.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -137.6 149.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 72' ' ' ILE . 3.1 m -118.45 179.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.0 m-85 -115.52 155.3 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 ' HA ' ' A' ' 42' ' ' PRO . 73.7 t -129.43 139.26 35.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.739 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.72 -51.32 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.361 -0.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.4 p -44.1 111.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.43 103.47 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -134.3 102.3 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.12 43.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.27 18.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -145.02 146.31 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -94.06 154.33 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' CYS . 28.4 ttmt -33.47 -45.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.36 -61.76 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.8 m -57.69 -55.95 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.22 -36.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.6 -42.7 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -65.95 -46.16 79.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.2 m -67.48 122.52 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 -35.65 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.2 ptpt -145.68 153.84 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -35.67 116.16 0.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.69 5.93 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mmm -124.21 -41.89 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 m -103.4 -20.3 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 67.99 25.02 7.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 42' ' ' PRO . 55.3 m -88.25 103.84 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' THR . 74.7 t -33.04 107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 40' ' ' PHE . 20.2 mt -50.02 97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -78.89 -28.94 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' A' ' 41' ' ' VAL . 43.4 t80 -148.65 157.28 43.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -129.62 89.08 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -80.58 134.06 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.479 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -86.62 132.95 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.854 HD12 ' HG2' ' A' ' 74' ' ' MET . 43.2 pt -102.01 166.77 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' MET . 17.1 m-85 -131.14 41.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.854 ' HG2' HD12 ' A' ' 72' ' ' ILE . 24.4 mmt -37.15 -52.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -160.1 152.23 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -157.75 174.51 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.65 125.92 2.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -161.69 169.62 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -160.4 137.97 9.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.39 91.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.713 ' C ' HD22 ' A' ' 9' ' ' LEU . 39.5 m -115.31 110.92 20.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 8' ' ' SER . 3.7 mm? -125.25 168.12 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -68.33 117.86 10.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -106.59 112.58 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -152.85 157.09 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 42.3 mt -89.19 155.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 13' ' ' ILE . 2.1 t -95.59 167.6 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -58.89 -38.65 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.01 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 10.8 tt0 -61.36 -59.98 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 64.4 mt-30 -38.71 -63.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.7 -42.35 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 1.4 tpp180 -59.09 -11.49 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -91.9 -50.05 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.53 -49.05 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -50.11 -29.54 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.77 22.79 3.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -127.2 -24.02 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' LEU . 40.5 pttt -102.9 -42.68 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -49.05 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.5 t -42.12 168.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -25.74 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.03 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -76.81 -59.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.3 p -90.52 -28.75 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.442 ' HA ' HD21 ' A' ' 27' ' ' LEU . 21.3 mtp 53.94 44.49 29.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -133.38 -48.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -87.72 -175.0 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -110.2 140.52 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.602 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -74.51 112.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.32 23.7 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mm -145.97 146.29 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.1 m -117.38 178.86 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.5 m-85 -116.55 163.98 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.0 t -134.31 138.58 30.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.716 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.81 -50.65 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.341 -0.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.3 p -47.01 113.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.69 102.95 2.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -128.43 115.06 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.709 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -92.39 37.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 48' ' ' THR . 5.1 m -72.13 -34.74 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.03 HG22 HD13 ' A' ' 30' ' ' ILE . 71.9 p -100.0 160.53 14.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.2 179.01 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -54.15 -39.91 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.5 -63.06 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.6 m -54.63 -57.13 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.66 -44.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.01 -38.77 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -62.51 -41.23 98.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.9 m -81.5 116.49 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.07 -35.13 79.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -136.54 153.14 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.1 t -41.89 114.41 1.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.89 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -119.77 -38.91 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -109.16 -1.51 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.9 m-85 50.64 25.74 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.989 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 HG21 ' HD2' ' A' ' 42' ' ' PRO . 89.5 m -92.28 111.45 23.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.5 t -39.8 129.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.665 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.8 mt -92.6 97.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -98.06 22.51 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HB3' HG21 ' A' ' 41' ' ' VAL . 21.8 t80 -168.63 124.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -105.12 80.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -66.58 143.87 56.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -103.28 110.64 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.622 ' CG2' HG13 ' A' ' 39' ' ' VAL . 38.0 pt -92.26 162.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -133.69 80.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.19 -46.01 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.856 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -168.5 109.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -170.8 133.88 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.52 116.35 1.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -159.28 118.86 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -151.96 153.71 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.52 66.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 9' ' ' LEU . 19.0 m -140.23 115.49 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.905 0.384 . . . . 0.0 110.824 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD12 ' C ' ' A' ' 8' ' ' SER . 10.1 mp -126.41 86.94 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -173.06 124.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.35 108.8 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.95 166.09 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 HD13 ' NH1' ' A' ' 21' ' ' ARG . 31.6 mt -86.53 137.36 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.2 m -76.77 162.44 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 16' ' ' GLU . 12.7 t -53.69 -40.03 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 15' ' ' THR . 35.7 mt-10 -48.69 -59.77 3.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.26 -60.25 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -39.4 -59.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 7.1 mp -56.08 -43.3 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.13 -13.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' NH1' HD13 ' A' ' 13' ' ' ILE . 36.6 mtt85 -91.18 -46.98 7.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -51.56 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.8 mt-30 -53.97 -22.12 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.24 -30.05 38.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.35 6.15 41.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -111.61 -61.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.86 178.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.674 ' N ' HG23 ' A' ' 36' ' ' ILE . 19.3 t -44.68 155.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -116.55 -36.45 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.2 mp -60.48 -67.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -87.97 -34.26 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.3 mtp 60.71 44.91 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 -38.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 13.3 mmm180 -92.8 171.71 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' ILE . 1.7 p-10 -101.13 102.52 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 pp -33.88 110.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . . . -134.1 21.93 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 71' ' ' LYS . 39.0 mm -143.34 146.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 46' ' ' LEU . 1.6 m -118.05 174.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HZ ' HG21 ' A' ' 48' ' ' THR . 25.9 m-85 -110.88 155.35 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.5 t -128.96 136.77 29.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.8 -51.45 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.229 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.342 -0.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 18.1 p -46.25 115.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.46 105.3 3.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.24 115.9 23.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -79.29 43.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.93 30.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.712 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 1.1 p -154.81 136.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 21.6 p -87.73 -178.16 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -55.46 -40.74 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -72.55 -66.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.9 m -44.82 -63.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' C ' ' HE2' ' A' ' 69' ' ' LYS . . . -36.1 -43.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.26 -49.05 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.75 129.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.1 -30.94 39.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.8 ptpt -140.29 143.44 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.67 118.76 0.48 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.527 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 4.17 2.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.1 mmt -124.56 -33.28 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.57 -0.42 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 20.7 m-85 48.58 25.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -91.12 116.0 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.52 146.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 ' HD3' ' A' ' 69' ' ' LYS . 14.4 mt -108.29 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.2 t -87.6 -22.15 24.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 18.3 t80 -125.75 136.33 53.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' HD3' HG21 ' A' ' 66' ' ' ILE . 2.9 mmmp? -118.35 83.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -86.21 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HE3' ' CZ ' ' A' ' 73' ' ' PHE . 28.3 ttpt -111.41 142.35 43.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 46' ' ' LEU . 42.5 pt -96.35 159.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CZ ' ' HE3' ' A' ' 71' ' ' LYS . 38.9 m-85 -134.9 50.55 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.424 ' CG ' HD12 ' A' ' 72' ' ' ILE . 8.2 mmt -47.67 -41.89 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.829 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m -143.02 133.72 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -168.18 145.54 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.28 129.21 5.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -171.85 122.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -156.09 175.6 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.13 132.15 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.7 m -107.93 132.98 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.81 139.5 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -127.84 155.47 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -140.84 123.8 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -95.02 163.89 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.521 HG22 ' HG3' ' A' ' 18' ' ' GLN . 19.1 mt -96.51 142.22 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' THR . 23.3 t -88.05 139.36 30.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 9.7 t -35.45 -35.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' SER . 34.8 mt-10 -57.04 -57.67 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 68.0 tt0 -70.83 -47.81 57.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HG3' HG22 ' A' ' 13' ' ' ILE . 31.7 mt-30 -48.4 -58.72 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.5 mp -54.0 -48.51 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 14.1 mmt180 -48.03 -17.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 26.8 mtm105 -85.46 -55.91 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -85.48 -47.65 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' LEU . 10.9 mt-30 -53.43 -28.76 31.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 10.9 pt-20 -83.67 12.05 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -120.96 -10.38 9.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' LEU . 24.4 pttt -114.77 -35.24 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.72 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HG23 ' A' ' 36' ' ' ILE . 11.4 t -45.53 163.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -9.92 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.064 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -94.08 -59.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -91.15 -36.87 13.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 6.3 mtt 59.86 39.56 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.58 -45.24 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -119.15 -179.85 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.93 155.06 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.7 pt -86.14 121.72 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 24.03 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.8 mm -147.24 150.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.4 m -130.78 178.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 20.6 m-85 -111.66 170.57 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.9 t -142.59 138.16 16.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.76 -49.51 0.23 Allowed 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.317 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.2 p -42.83 115.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.18 100.42 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -128.43 116.6 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.789 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.68 26.5 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 48' ' ' THR . 3.6 m -62.97 -20.93 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.064 HG22 HD13 ' A' ' 30' ' ' ILE . 72.0 p -114.84 156.32 25.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 p -94.37 -174.12 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -54.17 -39.61 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -73.97 -70.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLN . 56.4 m -37.12 -53.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.01 -42.9 29.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.5 mt-10 -68.08 -37.93 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.6 84.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.0 m -105.68 112.8 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.5 m-20 -64.71 -38.41 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -111.74 155.69 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' TYR . 27.8 t -52.52 121.86 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.554 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 mmm -125.86 -31.42 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' THR . 7.0 m -117.83 9.99 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 37.8 29.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' CYS . 41.2 m -94.2 107.23 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -37.82 123.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG12 ' CD1' ' A' ' 40' ' ' PHE . 9.1 mt -82.9 93.35 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -90.02 8.02 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 29.8 t80 -156.8 118.42 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -100.59 78.23 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.692 ' HB3' HG22 ' A' ' 39' ' ' VAL . 61.8 tp60 -69.13 156.11 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.639 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 9.6 mttp -114.37 148.33 37.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 pt -121.39 -41.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 51.21 53.62 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.8 mmt -40.58 -47.4 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.795 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -171.51 147.69 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -166.8 175.56 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.46 114.02 2.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -152.22 124.76 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -165.48 145.16 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.96 154.88 13.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -143.74 164.28 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 9' ' ' LEU . 3.5 mm? -115.53 158.88 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -144.22 158.76 43.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -173.79 146.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -154.14 164.52 38.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.503 HG22 ' HG3' ' A' ' 18' ' ' GLN . 41.9 mt -85.82 142.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 m -80.21 170.44 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -64.65 -31.54 72.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 19.9 mp0 -58.29 -63.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 9.4 tp10 -63.3 -53.13 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HG3' HG22 ' A' ' 13' ' ' ILE . 76.2 mt-30 -44.69 -64.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.8 mp -49.91 -47.17 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -50.88 -15.96 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -86.89 -52.99 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -87.59 -49.11 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.5 mt-30 -52.2 -29.68 23.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.38 19.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.47 -14.06 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' LEU . 46.4 mttt -101.41 -52.98 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.964 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -47.11 177.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.1 t -42.98 167.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -124.75 -35.39 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.905 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -68.68 -64.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -85.37 -40.76 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 2.5 mtt 60.97 45.74 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -40.14 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -110.31 165.18 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -86.83 119.67 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pp -45.2 118.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.02 26.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -147.6 145.18 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 46' ' ' LEU . 2.2 m -123.59 179.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 66' ' ' ILE . 24.6 m-85 -115.98 167.19 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 42' ' ' PRO . 48.6 t -139.55 137.09 18.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.63 0.729 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.646 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.78 -52.06 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.356 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -42.61 113.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.76 101.18 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -128.04 100.25 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.51 36.44 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 48' ' ' THR . 19.1 m -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.905 HG22 HD13 ' A' ' 30' ' ' ILE . 56.9 p -94.69 152.88 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -83.98 179.04 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -56.45 -43.3 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.38 -54.99 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.7 m -59.14 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.05 -41.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.21 -42.25 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -64.15 -46.77 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -76.79 112.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.7 -38.46 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -132.06 157.78 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -42.79 121.47 2.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 48' ' ' THR . 53.4 Cg_endo -69.76 5.39 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.9 mmt -128.28 -38.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 m -105.59 -7.45 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 7.3 m-85 52.89 34.78 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 42' ' ' PRO . 27.8 m -96.74 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -40.07 121.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.557 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.1 mt -82.3 87.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 -33.62 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -118.08 133.23 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.77 81.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -67.21 153.24 44.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CE ' ' CE2' ' A' ' 73' ' ' PHE . 20.6 mtpp -111.35 115.96 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.464 HD12 ' HG2' ' A' ' 74' ' ' MET . 13.4 pt -93.88 -41.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.508 ' CE2' ' CE ' ' A' ' 71' ' ' LYS . 27.0 m-85 49.85 50.93 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.464 ' HG2' HD12 ' A' ' 72' ' ' ILE . 17.2 mmt -39.67 -55.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.798 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p -111.95 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -173.25 177.91 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.61 -157.73 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -165.54 151.41 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -123.62 160.44 27.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.64 51.39 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.543 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -133.96 107.24 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.32 41.02 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -81.38 83.34 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.76 99.53 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -144.13 151.22 39.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 54.1 mt -89.93 153.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 13' ' ' ILE . 1.4 t -99.91 152.97 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.6 t -48.84 -35.04 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -56.12 -52.86 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 11.5 tm-20 -70.83 -56.61 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 68.0 mt-30 -43.4 -62.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.9 mp -51.17 -45.4 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -54.41 -15.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 21' ' ' ARG . 53.9 mtp180 -90.01 -51.13 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.49 -52.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.1 mt-30 -48.81 -48.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' HA ' HD11 ' A' ' 27' ' ' LEU . 5.2 pt-20 -51.37 -26.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.08 16.31 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 36' ' ' ILE . 67.2 mttt -122.77 -58.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -58.38 -178.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.768 ' N ' HG23 ' A' ' 36' ' ' ILE . 17.4 t -44.65 158.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -121.86 -28.97 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.956 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -67.3 -56.78 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -98.43 -37.65 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp 59.49 43.71 15.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.74 -43.23 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -109.31 166.21 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -87.94 128.64 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.782 HG22 ' O ' ' A' ' 48' ' ' THR . 2.1 pp -54.85 126.54 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.29 16.72 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.686 HD13 ' HA ' ' A' ' 71' ' ' LYS . 34.0 mm -146.74 149.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.5 m -122.88 177.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.1 m-85 -110.7 156.04 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 69.0 t -132.98 139.45 34.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.77 -47.5 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.4 p -46.6 116.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.25 101.86 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -131.32 110.7 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.1 47.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 3.1 m -89.45 10.13 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.956 HG22 HD13 ' A' ' 30' ' ' ILE . 52.9 p -141.32 161.33 38.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -102.92 165.96 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 32.0 mttm -36.2 -44.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -67.31 -67.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.8 m -51.56 -60.92 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -37.03 -36.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -81.57 -43.69 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -58.4 -46.3 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.9 m -68.19 115.57 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.14 -38.37 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.66 ' HZ2' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -147.75 152.83 38.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.9 t -33.66 117.72 0.48 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 7.73 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -128.55 -38.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.3 m -105.66 -10.06 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 56.26 32.46 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.7 m -102.23 105.54 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' HZ2' ' A' ' 58' ' ' LYS . 47.0 t -42.35 124.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -69.92 93.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -84.96 12.98 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -169.31 122.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -97.0 89.97 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.764 ' HB3' HG22 ' A' ' 39' ' ' VAL . 6.7 tp-100 -85.85 125.44 33.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.686 ' HA ' HD13 ' A' ' 38' ' ' ILE . 20.3 ttmt -88.16 137.51 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 36' ' ' ILE . 30.5 pt -105.71 164.19 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.28 45.56 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.2 mmt -38.37 -52.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.838 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -128.12 -61.5 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -168.11 160.42 11.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.26 89.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -163.8 114.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -121.4 156.74 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 95.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.0 t -156.06 129.8 8.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -159.64 149.9 18.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.406 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.65 132.31 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 10' ' ' GLN . 25.0 mmmt -149.75 109.18 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.99 -177.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 53.8 mt -76.84 152.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.5 t -87.82 160.84 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.452 ' O ' HD13 ' A' ' 19' ' ' LEU . 13.8 t -51.92 -37.81 54.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.7 -57.33 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 1.7 mp0 -66.96 -59.47 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -39.28 -62.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 15' ' ' THR . 8.0 mp -49.11 -51.85 29.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.9 mmm180 -48.39 -16.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 19' ' ' LEU . 75.1 mtp180 -87.5 -59.5 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -76.37 -47.15 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 12.9 mt-30 -46.93 -33.66 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' ARG . 6.4 pt-20 -86.18 23.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.2 mt-10 -126.76 -16.54 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -101.22 -50.78 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.74 177.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 27' ' ' LEU . 18.5 t -43.32 163.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -119.11 -37.44 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.865 HD13 HG22 ' A' ' 48' ' ' THR . 2.2 mp -62.64 -69.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' ILE . 22.4 p -80.33 -41.36 24.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.0 mtp 63.92 42.26 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.07 -53.92 2.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 49' ' ' CYS . 3.8 ptm85 -109.0 -174.7 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.58 161.4 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.8 pt -84.99 123.1 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.01 20.86 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -147.61 151.44 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -130.99 179.19 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.423 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.5 m-85 -112.82 157.57 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 70.4 t -133.21 139.35 33.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.68 -51.36 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.37 -0.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.9 p -43.37 111.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.45 100.89 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -128.08 99.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.753 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.18 46.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 61' ' ' MET . 5.3 m -87.59 11.25 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.865 HG22 HD13 ' A' ' 30' ' ' ILE . 61.0 p -142.93 158.98 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 25.0 p -97.0 -179.74 4.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -49.24 -44.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.42 -68.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' ALA . 61.6 m -46.96 -59.4 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.43 -38.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -78.13 -45.97 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.54 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -65.27 114.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.73 -35.11 78.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.1 ptpt -148.24 150.89 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LYS . 24.0 t -37.12 115.37 0.7 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 9.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 47' ' ' VAL . 16.8 mtp -123.3 -43.52 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 m -106.99 -4.92 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 54.22 33.19 17.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -97.32 111.89 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.3 t -42.36 120.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG12 ' CD1' ' A' ' 40' ' ' PHE . 10.6 mt -75.71 89.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -78.71 -33.05 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -119.24 127.77 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -103.39 76.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 56.5 tp60 -62.35 152.23 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 25.4 mtpt -112.1 124.15 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.5 pt -113.28 156.73 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -134.98 35.4 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.2 ptp -64.69 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -170.13 160.03 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -126.36 -43.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.35 144.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -147.21 128.9 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -155.65 173.85 16.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.69 160.25 8.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t -103.42 173.25 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.1 mt -98.15 43.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -121.52 86.56 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -142.52 114.58 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -131.56 146.2 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 14' ' ' SER . 63.3 mt -74.5 156.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 13' ' ' ILE . 3.7 t -92.45 151.66 20.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 t -52.75 -31.93 40.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.182 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.29 -54.44 46.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.45 -53.26 20.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 21.0 mt-30 -46.27 -64.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.6 mp -50.5 -45.62 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -51.9 -14.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 21' ' ' ARG . 40.9 mtp-105 -92.52 -50.49 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -48.47 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' LEU . 12.9 mt-30 -55.09 -28.49 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -80.16 7.71 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -115.49 -9.14 12.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LEU . 49.9 mttm -101.74 -56.54 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -48.94 -178.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.662 ' N ' HG23 ' A' ' 36' ' ' ILE . 10.5 t -43.04 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -129.06 -30.54 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -73.74 -65.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -85.92 -41.44 14.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mtp 60.32 46.4 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.16 -41.39 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -174.27 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -101.58 121.44 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 28' ' ' CYS . 1.3 pp -49.44 121.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.98 27.0 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 71' ' ' LYS . 24.3 mm -147.47 152.83 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 46' ' ' LEU . 3.4 m -130.42 178.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 66' ' ' ILE . 18.1 m-85 -109.35 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.697 HG13 ' HA ' ' A' ' 42' ' ' PRO . 74.1 t -148.13 138.14 12.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.662 0.744 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.697 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -50.09 0.2 Allowed 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.341 -0.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.2 p -41.07 114.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.13 101.46 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -130.91 101.38 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.61 49.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CE ' ' A' ' 61' ' ' MET . 35.6 m -95.07 7.76 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 30' ' ' ILE . 6.7 p -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' CYS . 13.3 ttpt -33.71 -48.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.96 -60.96 2.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' ALA . 90.7 m -59.9 -61.84 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.88 -37.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.77 -43.6 36.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -63.75 -46.4 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.2 m -59.82 119.28 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -20.24 60.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 13.7 ptpt -160.06 144.13 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' LYS . 20.9 t -34.01 116.72 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.7 9.08 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.429 ' CE ' HG11 ' A' ' 47' ' ' VAL . 43.6 mtm -127.08 -38.31 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.46 -5.23 16.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.6 m-85 52.29 39.66 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.2 m -104.29 109.37 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' THR . 67.1 t -35.6 138.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 40' ' ' PHE . 5.0 mm -77.46 92.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 t -87.69 2.5 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 40.4 t80 -166.31 163.07 17.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 66' ' ' ILE . 2.5 mptm? -135.0 79.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -76.37 131.49 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -95.47 132.1 40.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.598 HD12 ' HG2' ' A' ' 74' ' ' MET . 34.7 pt -105.29 164.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' MET . 44.9 m-85 -129.59 38.4 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.598 ' HG2' HD12 ' A' ' 72' ' ' ILE . 24.3 mmt -33.21 -59.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' MET . 5.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p 45.63 42.23 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -166.17 165.35 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.19 104.67 1.62 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -132.56 99.91 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -168.7 144.2 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.813 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 111.22 0.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.0 p -157.66 161.55 38.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.945 0.403 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.84 117.34 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -163.96 135.08 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -164.85 129.64 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 13' ' ' ILE . 25.2 tt0 -121.66 153.57 37.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 8.6 mt -95.87 142.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 m -85.99 167.83 14.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 t -56.96 -35.01 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.62 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 14.2 tt0 -59.53 -46.54 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 46.5 mt-30 -49.95 -63.31 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.8 mp -52.26 -39.39 60.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -57.43 -11.65 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.983 ' HG2' HD23 ' A' ' 22' ' ' LEU . 13.9 ptt85 -94.81 -44.89 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.983 HD23 ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.19 -50.05 6.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 12.2 mt-30 -54.91 -31.96 60.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.64 3.8 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -110.52 -21.49 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 23' ' ' GLN . 25.2 pttt -100.13 -39.97 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -51.32 -176.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.5 t -44.23 170.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -128.82 -26.58 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.856 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -81.77 -68.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -79.7 -37.33 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.5 mtt 56.63 45.03 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -115.03 -37.78 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -120.05 -174.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -103.38 120.17 40.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 46' ' ' LEU . 1.6 pp -42.77 125.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.609 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.87 22.23 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.609 HD13 ' O ' ' A' ' 37' ' ' ALA . 33.0 mm -146.24 154.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -129.78 177.57 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 66' ' ' ILE . 20.1 m-85 -111.38 172.35 6.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 42' ' ' PRO . 72.2 t -142.98 137.82 15.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 -50.63 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.353 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -43.68 116.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.14 99.24 2.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -129.07 100.41 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -84.33 43.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.735 HG23 HG23 ' A' ' 48' ' ' THR . 16.5 m -73.65 -33.19 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.856 HG22 HD13 ' A' ' 30' ' ' ILE . 34.3 p -105.15 150.69 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LYS . 27.5 p -85.49 155.53 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 pttt -38.05 -33.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 2.6 mt-30 -69.82 -58.33 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.05 -51.01 63.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.02 -47.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -61.19 -43.04 99.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.39 77.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 m -68.36 128.42 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.0 m-20 -75.69 -29.5 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' ILE . 8.1 ptpp? -147.78 150.78 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.0 t -35.23 121.57 0.61 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 5.19 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.1 mmt -126.53 -39.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 m -105.94 -6.23 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 53.58 31.32 12.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.6 m -97.25 106.24 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -39.24 128.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.0 mp -76.05 96.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 t -91.11 9.98 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 38.9 t80 -163.39 126.99 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -103.78 81.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB3' HG22 ' A' ' 39' ' ' VAL . 30.9 tp60 -71.19 146.65 48.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -111.5 116.59 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.586 HD12 ' N ' ' A' ' 73' ' ' PHE . 1.6 pp -109.09 170.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.586 ' N ' HD12 ' A' ' 72' ' ' ILE . 10.0 m-85 -134.96 86.18 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.529 ' HE3' HD13 ' A' ' 72' ' ' ILE . 5.4 mtt -87.25 -49.74 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.836 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -142.5 130.72 22.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -153.89 138.42 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.12 128.05 4.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.22 153.04 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -161.12 161.61 31.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.75 51.73 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -108.08 41.65 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.68 158.29 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -79.61 147.93 31.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -116.72 39.92 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 13' ' ' ILE . 10.7 tt0 -62.79 152.13 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 54.3 mt -78.14 154.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 13' ' ' ILE . 19.6 t -90.38 153.56 20.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 16' ' ' GLU . 9.8 t -44.59 -43.16 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' N ' HG23 ' A' ' 15' ' ' THR . 17.8 mt-10 -49.45 -57.9 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 1.1 mp0 -65.67 -60.86 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -40.39 -62.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.3 mp -50.71 -47.88 58.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -53.34 -14.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -91.4 -46.29 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -50.92 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' LEU . 9.9 mt-30 -50.11 -47.46 53.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 6.7 pt-20 -49.05 -33.68 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.6 mm-40 -85.22 22.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -133.09 -59.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -50.68 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.606 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -41.45 165.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -120.93 -42.5 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.78 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -60.52 -68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 p -80.07 -34.28 38.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 mtp 62.95 44.26 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -133.52 -60.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 0.8 OUTLIER -71.39 -178.53 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.65 141.65 36.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.8 pt -72.92 114.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.85 18.33 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.783 HD11 ' HE2' ' A' ' 50' ' ' LYS . 49.6 mm -142.65 142.07 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 70' ' ' GLN . 4.8 m -119.91 179.29 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.524 ' CD1' HG12 ' A' ' 66' ' ' ILE . 21.3 m-85 -116.22 161.88 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 42' ' ' PRO . 19.8 t -132.94 136.62 27.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.73 -55.3 0.14 OUTLIER 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.355 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.4 p -40.79 109.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.65 100.95 2.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -125.4 100.68 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.785 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.88 39.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.87 16.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD13 ' A' ' 30' ' ' ILE . 58.4 p -139.63 161.74 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 34' ' ' ARG . 31.6 p -108.68 160.46 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.783 ' HE2' HD11 ' A' ' 38' ' ' ILE . 14.2 mmtt -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -62.46 -57.36 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ALA . 66.5 m -70.96 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.21 -44.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.57 -46.85 71.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -59.21 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -68.51 120.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.47 -36.01 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -133.22 152.65 51.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.7 t -42.13 115.7 1.59 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.77 9.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.3 mmt -127.66 -39.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -104.97 -10.52 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 58.83 32.73 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' VAL . 47.1 m -98.9 109.73 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' THR . 95.7 t -36.67 117.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 40' ' ' PHE . 13.1 mt -77.95 83.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 t -72.58 -31.27 65.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -125.43 135.82 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -115.95 85.65 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 2.0 tm0? -70.58 129.38 39.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HE2' ' CZ ' ' A' ' 73' ' ' PHE . 2.4 ttpm? -94.6 116.21 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 73' ' ' PHE . 2.1 pp -105.02 173.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' HE2' ' A' ' 71' ' ' LYS . 26.9 m-85 -133.29 82.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.472 ' CE ' ' HG ' ' A' ' 46' ' ' LEU . 6.2 mtt -87.86 -47.47 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.848 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -131.3 94.12 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -96.26 160.02 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.9 108.29 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -115.05 127.32 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -48.25 122.98 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.98 -111.14 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.415 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m -108.8 148.57 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.397 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -124.52 104.75 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -109.95 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -127.67 111.29 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -127.79 153.87 46.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 mt -99.3 138.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -81.44 174.49 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.418 ' O ' HD13 ' A' ' 19' ' ' LEU . 5.9 t -67.58 -31.57 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.99 -54.58 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 10.9 tt0 -73.25 -55.02 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 71.4 mt-30 -42.09 -48.72 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HG ' ' NE2' ' A' ' 23' ' ' GLN . 3.1 mp -65.64 -48.27 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 1.3 ptt85 -52.9 -14.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 14.6 mtp-105 -87.34 -46.18 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -94.77 -53.04 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 29.8 mt-30 -52.16 -17.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 11.7 pt-20 -83.81 -29.57 27.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.47 2.4 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 36' ' ' ILE . 71.7 mttt -106.54 -62.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.5 -175.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.686 ' N ' HG23 ' A' ' 36' ' ' ILE . 12.2 t -49.52 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 18.5 mtmt -128.44 -23.12 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.689 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -77.18 -65.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -88.54 -36.52 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mtp 58.76 44.37 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -119.74 -37.19 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 28.6 mtt85 -119.39 152.22 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.63 125.13 27.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.1 pp -48.32 126.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.17 12.68 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 71' ' ' LYS . 26.7 mm -144.09 149.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.815 HG12 HD12 ' A' ' 46' ' ' LEU . 3.4 m -116.71 174.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 66' ' ' ILE . 15.6 m-85 -109.39 152.06 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 42' ' ' PRO . 87.2 t -128.32 139.13 34.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.712 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.73 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 -49.95 0.21 Allowed 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.333 -0.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.7 p -49.62 115.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.08 104.56 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -121.88 112.97 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.864 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.83 46.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 61' ' ' MET . 32.0 m -110.64 23.59 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.689 HG22 HD13 ' A' ' 30' ' ' ILE . 3.1 p -152.23 139.48 19.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -91.59 161.8 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' CYS . 8.3 mtpm? -36.35 -46.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -62.01 -62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 94.4 m -55.46 -63.19 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -37.91 -45.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.26 -38.09 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.53 -47.12 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 60' ' ' PRO . 35.4 m -82.31 122.7 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.97 -30.49 66.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.5 ptpt -134.12 142.43 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.4 t -35.05 116.63 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.73 4.11 2.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.396 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.502 ' HG3' HG21 ' A' ' 47' ' ' VAL . 35.9 mmm -122.86 -31.12 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -116.84 2.73 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.3 m-85 45.68 26.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 28.5 m -89.37 114.06 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -38.4 133.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -102.53 104.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -107.84 22.58 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.2 t80 -163.45 145.4 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -130.25 92.78 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -92.56 152.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 24.0 ttmt -97.66 151.88 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 HG13 ' A' ' 39' ' ' VAL . 2.7 pp -113.71 -178.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 72' ' ' ILE . 60.6 m-85 -157.97 105.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.555 ' HG2' HD13 ' A' ' 72' ' ' ILE . 19.0 mmt -121.77 -35.44 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 -179.835 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -171.75 157.76 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -168.44 171.84 8.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.85 169.08 41.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -160.19 157.34 28.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -162.03 162.25 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.62 -140.27 3.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -166.3 133.64 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -93.58 76.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -161.05 141.46 11.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -166.22 149.8 7.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -157.46 154.59 28.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 20.9 mt -91.03 145.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 t -86.8 154.02 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 t -44.63 -35.18 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.1 -59.1 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.6 mm-40 -66.3 -59.72 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -38.89 -63.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 7.3 mp -51.91 -45.33 64.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -55.49 -11.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -96.39 -49.98 4.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -85.85 -46.2 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 26' ' ' LYS . 13.2 mt-30 -57.34 -12.57 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -95.69 -31.33 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.94 12.5 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -127.17 -43.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.68 176.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.635 ' N ' HD22 ' A' ' 27' ' ' LEU . 14.9 t -37.39 155.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -119.34 -28.99 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.668 HD13 HG22 ' A' ' 48' ' ' THR . 4.2 mp -68.35 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -89.2 -33.53 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 mtp 57.65 45.92 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -124.72 -40.95 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -107.19 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -96.7 142.72 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.596 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.5 pt -69.98 114.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 20.77 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.883 HG21 ' HE2' ' A' ' 69' ' ' LYS . 29.2 mm -144.71 139.22 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.8 m -116.07 178.36 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 66' ' ' ILE . 31.8 m-85 -114.85 157.09 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 3.6 t -129.79 136.78 29.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.347 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.3 p -42.98 113.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.93 103.22 3.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -129.01 99.34 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.48 44.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.06 13.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.668 HG22 HD13 ' A' ' 30' ' ' ILE . 44.4 p -138.62 159.56 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.9 p -105.74 159.27 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HD3' HD11 ' A' ' 38' ' ' ILE . 5.7 mmmm -33.99 -41.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.9 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' ALA . 77.8 m -55.66 -66.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 48' ' ' THR . . . -35.42 -34.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' CYS . 7.5 mm-40 -76.55 -43.56 38.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -68.69 -44.42 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -63.79 120.06 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.24 -30.3 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 66' ' ' ILE . 12.5 ptpt -146.56 145.81 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.8 t -33.91 116.39 0.48 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 8.84 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.3 mtt -125.43 -41.59 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.08 -17.73 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 67.96 27.26 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' VAL . 34.9 m -94.41 101.02 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' THR . 79.0 t -34.19 122.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 58' ' ' LYS . 4.7 mp -57.23 94.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 -30.07 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 49.3 t80 -147.75 131.27 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.883 ' HE2' HG21 ' A' ' 38' ' ' ILE . 6.6 tptm -98.32 97.58 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' HG22 ' A' ' 39' ' ' VAL . 8.9 tp-100 -91.45 137.21 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.71 143.32 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.6 pt -119.46 169.62 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.67 50.24 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -38.52 -49.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -173.08 110.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -88.76 42.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 103.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -150.83 171.3 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -141.33 155.27 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.05 47.43 1.04 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.714 ' C ' HD22 ' A' ' 9' ' ' LEU . 5.6 t -152.46 119.79 5.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' C ' ' A' ' 8' ' ' SER . 3.8 mm? -126.26 148.85 49.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -154.76 131.46 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -159.65 151.15 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.94 165.5 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -90.33 140.01 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.1 p -71.4 177.94 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -69.71 -32.44 71.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -57.08 -57.54 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -45.82 -63.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.3 mp -50.72 -45.51 58.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 18.6 mmt85 -52.81 -15.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -88.28 -49.98 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.74 -49.63 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' LEU . 10.9 mt-30 -52.46 -41.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 14.9 pt-20 -57.55 -26.35 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.46 8.06 38.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' LEU . 39.1 mttm -112.9 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -48.6 179.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.8 t -43.9 168.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -123.94 -38.88 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.569 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.9 mp -63.77 -66.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -80.9 -42.93 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtp 60.42 45.61 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.71 -40.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -116.81 151.44 36.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -67.87 143.89 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.9 140.85 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.7 11.94 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 24.2 mm -133.13 148.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 HD12 ' A' ' 46' ' ' LEU . 2.4 m -116.84 178.32 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 18.3 m-85 -113.0 151.24 30.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 42' ' ' PRO . 68.8 t -127.84 137.5 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.673 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 -50.45 0.19 OUTLIER 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.294 -0.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.6 p -49.27 116.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.73 106.56 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -123.91 112.01 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.832 HD12 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -75.33 47.73 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.81 14.16 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.542 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 2.1 p -143.87 128.46 18.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.7 p -88.78 169.5 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.7 mtmm -41.94 -46.37 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.83 -65.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 92.6 m -56.07 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.91 -40.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 50' ' ' LYS . 35.2 mm-40 -70.11 -42.94 72.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.78 -48.16 83.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -75.06 121.11 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.64 -33.56 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -132.25 145.33 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -37.77 113.1 0.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 8.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.6 mtt -123.14 -38.36 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.23 -2.1 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 54.35 25.24 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.427 HG21 ' HD2' ' A' ' 42' ' ' PRO . 82.9 m -90.04 110.22 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -38.43 132.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.513 ' CD1' ' CE1' ' A' ' 40' ' ' PHE . 11.6 mt -92.59 95.39 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 t -93.95 18.91 9.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -166.51 152.22 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -129.93 105.53 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -109.08 154.1 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 73' ' ' PHE . 11.4 ptpt -120.59 126.77 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -82.1 -30.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CZ ' ' HD3' ' A' ' 71' ' ' LYS . 5.0 m-85 60.43 53.78 4.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 mtt -46.88 -54.12 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.813 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m 58.93 42.19 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 p -124.6 165.91 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.3 107.44 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -159.35 151.26 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -153.81 135.4 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.04 98.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -103.68 144.34 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.39 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.76 93.17 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -64.98 126.91 29.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -151.08 130.08 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.05 152.99 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 14' ' ' SER . 48.5 mt -86.76 155.03 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 13' ' ' ILE . 65.8 p -87.39 164.83 16.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -58.35 -35.52 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.56 -54.69 42.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.01 -54.38 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HA ' ' CD ' ' A' ' 21' ' ' ARG . 76.7 mt-30 -45.13 -61.25 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.0 mp -49.87 -48.17 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -51.71 -15.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 18' ' ' GLN . 39.2 mtp85 -84.5 -54.86 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -85.48 -48.75 8.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' LEU . 11.6 mt-30 -47.53 -52.2 18.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 27' ' ' LEU . 13.5 pt-20 -49.74 -30.75 9.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.53 19.01 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -125.43 -56.52 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -62.61 -175.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.596 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.9 t -43.59 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -120.75 -38.59 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.672 HD13 HG22 ' A' ' 48' ' ' THR . 3.0 mp -67.97 -72.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -72.17 -41.37 67.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 12.5 mtp 61.6 42.63 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -119.31 -51.77 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -109.09 167.22 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -66.88 158.1 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER -72.45 -79.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' C ' HG12 ' A' ' 38' ' ' ILE . . . 58.06 25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' NZ ' ' A' ' 71' ' ' LYS . 14.7 mm -148.37 145.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.7 m -133.86 177.09 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' HG12 ' A' ' 66' ' ' ILE . 23.8 m-85 -116.51 156.37 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.4 t -129.35 136.8 29.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.587 0.708 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.81 -53.49 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.35 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.5 p -41.44 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.57 100.39 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -122.42 109.88 14.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.32 66.62 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG23 HG23 ' A' ' 48' ' ' THR . 27.3 m -111.36 -28.61 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 30' ' ' ILE . 69.0 p -100.68 153.37 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.01 176.36 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' ILE . 2.1 ttpm? -48.46 -26.7 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -86.09 -68.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 67.0 m -48.93 -54.2 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.58 -44.74 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.15 -42.03 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.78 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -74.02 122.4 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.03 -33.03 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 5.2 ptpp? -141.72 150.02 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LYS . 19.1 t -35.61 114.49 0.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.735 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.4 Cg_endo -69.69 10.31 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 mtt -126.08 -39.5 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -105.93 -14.3 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 67.4 25.9 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 42' ' ' PRO . 23.1 m -91.98 122.37 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 58' ' ' LYS . 91.5 t -45.2 125.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.3 mt -89.69 86.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -82.3 -27.15 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -117.1 133.39 56.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -114.86 70.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.582 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -61.22 155.21 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 24.9 mtpp -125.28 89.27 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.482 HD12 ' HG2' ' A' ' 74' ' ' MET . 22.4 pt -59.26 -44.17 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.474 ' N ' HG13 ' A' ' 72' ' ' ILE . 7.8 m-85 58.94 45.93 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.482 ' HG2' HD12 ' A' ' 72' ' ' ILE . 16.9 mmt -33.64 -56.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.821 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -62.86 -54.76 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m 55.31 42.16 30.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.62 -131.65 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 59.98 42.29 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -138.02 152.28 48.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.74 114.63 3.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -79.79 158.76 26.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.36 131.73 55.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -137.15 137.59 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -131.15 126.97 37.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -148.03 154.15 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 4.3 mt -90.05 151.7 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -99.37 161.0 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.4 t -52.57 -33.04 44.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.16 -58.65 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 3.4 tp10 -68.19 -58.24 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -39.39 -61.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.3 mp -52.76 -48.1 67.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -51.31 -15.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 41.8 mtp85 -86.58 -52.99 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -88.52 -48.02 7.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 27' ' ' LEU . 10.6 mt-30 -51.72 -45.31 63.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.56 1.1 20.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 7.0 mm-40 -105.1 -22.94 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 51.2 pttt -101.24 -44.05 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -49.2 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.2 t -43.21 170.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 25.4 mtmt -131.51 -34.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HG22 ' A' ' 48' ' ' THR . 2.5 mp -71.75 -64.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -87.63 -37.04 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.4 mtp 61.32 45.13 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.59 -52.55 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -107.11 156.94 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.93 147.56 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 46' ' ' LEU . 2.2 pp -78.77 120.89 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 23.32 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -147.68 151.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.6 m -127.66 178.04 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.496 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.6 m-85 -111.13 165.05 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 42' ' ' PRO . 71.0 t -136.82 139.08 27.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.726 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.76 -47.13 0.32 Allowed 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.348 -0.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.6 p -45.4 115.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.16 104.11 3.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -126.42 102.28 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.853 ' HB2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -83.63 34.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 HG23 ' A' ' 48' ' ' THR . 26.1 m -83.32 -25.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.876 HG22 HD13 ' A' ' 30' ' ' ILE . 81.8 p -100.74 157.71 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.0 p -104.73 158.84 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' CYS . 20.1 ttpt -33.85 -49.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -53.94 -65.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' HG22 ' A' ' 56' ' ' VAL . 71.9 m -59.69 -58.53 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.75 -44.82 3.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -70.67 -43.81 68.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.56 86.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.5 m -84.73 122.43 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.74 21.17 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -175.26 130.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' TYR . 32.1 t -42.18 113.87 1.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HG2' ' CE ' ' A' ' 61' ' ' MET . 53.9 Cg_endo -69.8 1.19 4.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.569 ' CE ' HD11 ' A' ' 30' ' ' ILE . 1.8 mpt? -105.92 -38.64 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.53 -6.29 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' CYS . 8.4 m-85 58.65 24.98 12.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.0 m -94.43 115.19 27.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.8 124.2 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 40' ' ' PHE . 6.9 mt -81.14 90.59 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.1 t -83.55 17.06 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 22.9 t80 -167.03 131.88 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -106.3 61.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -48.94 152.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -118.52 131.44 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.74 HD12 ' HG2' ' A' ' 74' ' ' MET . 16.5 pt -104.07 -40.71 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' MET . 27.4 m-85 59.11 38.89 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.74 ' HG2' HD12 ' A' ' 72' ' ' ILE . 17.6 mmt -33.77 -50.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.83 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -165.02 145.78 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -174.08 171.98 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.36 152.99 24.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -157.56 131.44 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -169.06 140.34 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.33 148.06 5.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 m -75.55 114.9 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.43 97.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -115.97 139.21 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.56 130.95 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -146.34 151.47 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 27.4 mt -75.37 142.21 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 t -80.61 155.77 26.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 16' ' ' GLU . 9.2 t -46.38 -40.88 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 15' ' ' THR . 19.1 mt-10 -50.79 -59.81 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.8 mp0 -64.02 -55.27 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -46.06 -61.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.8 mp -48.49 -53.58 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 27.9 mmt180 -43.93 -20.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' LEU . 54.0 mtm180 -81.67 -59.62 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.482 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -82.96 -46.18 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' LEU . 10.9 mt-30 -53.13 -26.67 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 7.8 pt-20 -93.97 -11.79 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.46 18.69 20.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 10.4 pttp -130.9 -30.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.68 -178.43 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.602 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -44.12 168.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -128.47 -27.22 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.773 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -76.3 -59.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -94.03 -36.17 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 23.7 mtp 59.03 45.71 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 -41.98 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 51' ' ' GLN . 52.3 mtt-85 -118.49 160.73 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -77.64 131.47 37.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.002 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.3 pp -57.93 123.92 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.686 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.97 22.38 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.527 HD13 ' O ' ' A' ' 37' ' ' ALA . 44.0 mm -142.66 153.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 46' ' ' LEU . 1.4 m -121.58 176.95 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 20.3 m-85 -116.96 150.68 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.74 HG13 ' HA ' ' A' ' 42' ' ' PRO . 55.0 t -127.08 139.05 34.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.74 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.1 Cg_endo -69.74 -48.72 0.26 Allowed 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.373 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 40' ' ' PHE . 17.4 p -51.57 116.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -97.73 107.84 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -128.09 109.76 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.002 ' HB3' HD13 ' A' ' 36' ' ' ILE . 2.2 mm? -76.29 50.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 61' ' ' MET . 27.9 m -110.3 17.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.773 HG22 HD13 ' A' ' 30' ' ' ILE . 1.7 p -147.12 139.46 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' CYS . 32.1 p -90.85 151.57 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -40.54 -33.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 30.8 mt-30 -67.69 -41.64 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' CYS . 66.9 m -82.49 -53.15 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.01 -43.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -64.88 -47.33 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.85 -46.78 89.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.9 m -73.51 114.95 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.85 -36.48 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.1 ptpp? -138.33 151.2 47.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -34.75 117.36 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.78 8.52 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.416 ' HG3' HG21 ' A' ' 47' ' ' VAL . 28.7 mmm -128.77 -37.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.0 m -107.59 -7.41 16.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.5 m-85 55.11 30.01 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' VAL . 59.3 m -96.38 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' THR . 88.2 t -36.05 139.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 HD13 ' CE1' ' A' ' 40' ' ' PHE . 15.4 mt -100.62 89.16 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 t -92.83 19.45 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -173.03 124.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -110.64 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -92.79 169.71 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 27.9 mtpt -129.9 130.16 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.785 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -82.08 165.62 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' MET . 46.4 m-85 -135.02 46.92 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 73' ' ' PHE . 21.1 mmt -35.65 -58.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.771 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -144.39 165.14 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -158.53 162.21 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.68 61.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -95.48 82.11 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -164.02 127.66 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.59 105.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -119.54 94.58 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -152.33 112.86 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.2 138.71 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -132.59 121.93 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -130.42 175.21 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 6.7 mt -88.09 148.67 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -93.66 154.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 16' ' ' GLU . 9.3 t -46.39 -42.19 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' N ' HG23 ' A' ' 15' ' ' THR . 31.0 mt-10 -45.55 -61.29 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 19.7 tt0 -67.17 -58.54 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.83 -63.71 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 HD23 ' OE1' ' A' ' 23' ' ' GLN . 8.9 mp -55.47 -41.93 73.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.19 -12.12 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -91.54 -51.54 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -83.37 -49.03 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.478 ' OE1' HD23 ' A' ' 19' ' ' LEU . 11.7 mt-30 -49.48 -20.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.02 23.73 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 27.5 mt-10 -126.1 -27.53 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' HG12 ' A' ' 36' ' ' ILE . 19.4 pttp -98.24 -47.27 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.748 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -44.11 171.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.639 ' O ' HD22 ' A' ' 27' ' ' LEU . 11.8 t -43.46 163.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -120.67 -31.01 4.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.807 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -71.7 -66.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -85.64 -38.26 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 40.8 mtp 61.69 40.49 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.79 -51.74 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -113.64 175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -81.76 149.25 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.932 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.5 pp -75.2 121.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.97 29.11 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.2 mm -147.67 144.44 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 46' ' ' LEU . 2.0 m -113.56 178.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.591 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 21.5 m-85 -115.38 154.07 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 42' ' ' PRO . 58.3 t -129.24 137.39 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.77 -50.91 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.0 p -48.57 116.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.19 105.46 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.82 113.16 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.932 ' HB3' HD13 ' A' ' 36' ' ' ILE . 1.1 mm? -84.24 67.17 9.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.7 m -119.84 1.58 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.807 HG22 HD13 ' A' ' 30' ' ' ILE . 3.0 p -131.4 152.11 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.92 -175.01 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -60.13 -43.46 95.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -65.78 -62.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 85.1 m -54.7 -57.94 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.96 -46.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.89 -42.42 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.28 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.8 m -67.84 120.97 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.8 ptpt -137.77 144.04 41.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -34.87 118.91 0.57 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.591 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.75 4.37 2.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.9 mtm -121.9 -37.99 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -111.68 0.91 16.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.8 m-85 47.72 30.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 47.6 m -89.35 114.26 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.1 t -39.57 115.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 40' ' ' PHE . 19.8 mt -85.07 94.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -95.81 19.7 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.407 ' HE2' HE21 ' A' ' 70' ' ' GLN . 17.0 t80 -164.58 156.64 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -133.51 88.35 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.634 ' HB3' HG22 ' A' ' 39' ' ' VAL . 8.7 tp-100 -88.41 158.06 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 14.5 mtpt -120.42 143.61 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -93.02 160.17 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' MET . 30.0 m-85 -128.71 42.99 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' PHE . 8.3 mmt -35.01 -45.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -121.89 142.09 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -171.51 153.41 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 158.72 9.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -168.88 120.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -151.76 177.57 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.45 150.74 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -81.49 136.88 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 mt -124.77 104.22 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -89.07 120.42 30.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -106.18 113.25 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -152.25 152.5 32.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 10.6 mt -91.98 153.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.5 p -107.26 149.99 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 19' ' ' LEU . 11.5 t -43.12 -32.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.33 -57.51 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.19 -52.34 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 59.5 mt-30 -46.22 -61.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' CD ' ' A' ' 23' ' ' GLN . 5.6 mp -50.44 -47.64 56.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -50.71 -15.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.9 mtp-105 -86.81 -64.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.31 -45.56 66.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CD ' ' HB3' ' A' ' 19' ' ' LEU . 38.3 mt-30 -47.58 -32.54 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 21' ' ' ARG . 4.3 pt-20 -91.42 30.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.02 -32.38 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 36' ' ' ILE . 8.6 pttm -96.11 -43.47 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.847 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.4 172.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.547 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.0 t -41.07 145.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -101.79 -33.15 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -68.39 -77.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 30' ' ' ILE . 14.4 p -74.24 -30.33 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 26.9 mtp 56.38 43.77 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.29 -51.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -95.42 168.43 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.1 142.54 28.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -77.31 119.58 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . -134.97 23.43 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.636 HD11 ' NZ ' ' A' ' 50' ' ' LYS . 24.1 mm -143.23 146.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 46' ' ' LEU . 1.3 m -123.99 179.09 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.6 m-85 -118.97 154.48 32.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 42' ' ' PRO . 54.3 t -130.16 140.32 38.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.784 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -51.62 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.301 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 19.7 p -42.01 107.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.5 102.49 2.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -130.12 96.91 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.702 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.27 45.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 32.1 m -98.51 26.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -146.61 146.98 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' LYS . 29.1 p -98.54 158.23 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.636 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 39.6 mmtt -34.27 -48.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -57.43 -60.58 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ALA . 74.9 m -64.38 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.8 -39.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.67 -44.28 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.1 m -71.63 116.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -67.07 -34.93 78.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.6 ptpt -137.0 150.46 48.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' TYR . 12.0 t -36.06 115.96 0.62 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 6.46 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.218 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.3 mmt -123.6 -37.14 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.74 -1.92 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.3 m-85 52.01 26.84 3.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.0 m -92.96 113.44 25.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.7 t -40.86 125.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.748 HG22 ' HD2' ' A' ' 69' ' ' LYS . 12.9 mt -90.01 90.84 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -81.08 -24.28 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -124.36 130.02 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.748 ' HD2' HG22 ' A' ' 66' ' ' ILE . 1.6 mptt -113.86 97.88 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -91.86 144.47 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HD2' ' CD1' ' A' ' 73' ' ' PHE . 3.3 ttmm -101.48 127.27 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.603 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.5 pt -107.95 -39.53 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.644 ' CD1' ' HD2' ' A' ' 71' ' ' LYS . 0.4 OUTLIER 26.71 54.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.488 ' C ' ' O ' ' A' ' 73' ' ' PHE . 21.5 mmt -30.86 -55.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.813 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.667 ' O ' HD22 ' A' ' 27' ' ' LEU . 12.8 t -45.34 153.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.004 HD13 HG22 ' A' ' 48' ' ' THR . 2.8 mp -70.42 -58.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.12 -28.38 14.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.4 mtp 55.03 42.66 30.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -121.09 -44.89 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 53.1 mtp180 -104.97 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -95.91 145.54 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -72.21 115.42 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.778 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.67 21.24 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mm -147.16 147.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.0 m -117.53 178.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 66' ' ' ILE . 22.8 m-85 -116.51 156.8 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.706 HG13 ' HA ' ' A' ' 42' ' ' PRO . 77.8 t -130.43 138.55 33.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.648 0.737 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.706 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -50.87 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.355 -0.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.0 p -44.91 114.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.48 97.25 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 52.8 m80 -125.92 102.57 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.61 34.1 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.91 4.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.004 HG22 HD13 ' A' ' 30' ' ' ILE . 40.3 p -130.64 158.43 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -99.01 171.82 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -42.88 -49.69 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 77.4 mt-30 -59.68 -69.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ALA . 99.1 m -50.41 -62.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.08 -44.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.04 -42.41 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.56 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 m -76.59 120.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.53 -36.84 76.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.8 ptpt -130.12 145.07 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.5 t -35.69 118.54 0.64 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 mmt -123.32 -36.54 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.7 m -109.4 2.51 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 45.24 25.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 42' ' ' PRO . 98.9 m -91.4 111.22 22.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' THR . 92.7 t -36.31 135.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.9 mt -100.89 93.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 t -95.58 22.05 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.1 t80 -168.14 127.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -109.19 80.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.72 ' HB3' HG22 ' A' ' 39' ' ' VAL . 49.8 tp60 -73.64 139.51 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -108.69 125.56 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.778 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.58 ' O ' HD22 ' A' ' 27' ' ' LEU . 15.8 t -45.83 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -127.35 -27.48 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 48' ' ' THR . 3.2 mp -72.54 -55.56 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.71 -27.15 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.1 mtp 51.84 42.32 29.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.24 -45.35 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 11.8 mtp-105 -102.69 -175.5 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.49 148.62 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.727 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.8 pt -74.82 112.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.1 22.91 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 71' ' ' LYS . 23.6 mm -146.54 149.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.3 m -127.15 178.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.631 ' CE1' HD13 ' A' ' 66' ' ' ILE . 20.9 m-85 -116.42 163.53 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 1.9 t -134.02 137.81 29.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.71 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.8 p -42.18 116.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.48 100.38 2.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.592 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.4 m80 -125.07 108.71 12.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.727 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.46 45.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.61 22.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.719 HG22 HD13 ' A' ' 30' ' ' ILE . 62.7 p -148.28 155.52 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.0 p -103.21 163.28 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' CYS . 17.4 mtmm -36.87 -41.77 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.74 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' ALA . 98.9 m -55.7 -61.12 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.18 -39.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.65 -44.15 44.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.55 -44.51 96.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -77.29 115.3 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -66.8 -32.53 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -137.09 155.25 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 63' ' ' TYR . 13.3 t -43.87 118.02 2.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.39 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.65 -36.84 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.0 m -112.33 1.9 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.0 m-85 46.6 30.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -94.6 118.24 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.08 125.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.631 HD13 ' CE1' ' A' ' 40' ' ' PHE . 9.4 mt -92.38 88.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.8 t -80.27 -29.95 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -113.9 133.61 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -112.4 84.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.569 ' HB3' HG22 ' A' ' 39' ' ' VAL . 19.8 tp60 -82.09 132.28 35.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 38' ' ' ILE . 17.2 ttmt -93.37 141.8 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.3 pp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.754 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -37.74 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -122.21 -27.68 4.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.8 mp -74.5 -63.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.57 -33.9 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.455 ' HA ' HD21 ' A' ' 27' ' ' LEU . 27.0 mtp 60.86 44.75 10.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.68 -48.33 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -101.97 166.62 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.3 113.5 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 pp -43.87 121.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 15.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -137.6 149.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 72' ' ' ILE . 3.1 m -118.45 179.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.0 m-85 -115.52 155.3 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 ' HA ' ' A' ' 42' ' ' PRO . 73.7 t -129.43 139.26 35.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.739 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.72 -51.32 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.361 -0.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.4 p -44.1 111.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.43 103.47 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 50.6 m80 -134.3 102.3 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.12 43.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.27 18.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -145.02 146.31 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -94.06 154.33 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' CYS . 28.4 ttmt -33.47 -45.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.36 -61.76 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.8 m -57.69 -55.95 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.22 -36.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.6 -42.7 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -65.95 -46.16 79.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.2 m -67.48 122.52 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 -35.65 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.2 ptpt -145.68 153.84 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -35.67 116.16 0.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.69 5.93 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mmm -124.21 -41.89 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.4 m -103.4 -20.3 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 67.99 25.02 7.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 42' ' ' PRO . 55.3 m -88.25 103.84 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' THR . 74.7 t -33.04 107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 40' ' ' PHE . 20.2 mt -50.02 97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -78.89 -28.94 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' A' ' 41' ' ' VAL . 43.4 t80 -148.65 157.28 43.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -129.62 89.08 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.58 134.06 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.62 132.95 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.423 HG23 HG13 ' A' ' 39' ' ' VAL . 43.2 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.836 0.35 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.5 t -42.12 168.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -25.74 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.03 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -76.81 -59.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.3 p -90.52 -28.75 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.442 ' HA ' HD21 ' A' ' 27' ' ' LEU . 21.3 mtp 53.94 44.49 29.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -133.38 -48.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -87.72 -175.0 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -110.2 140.52 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.602 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -74.51 112.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.32 23.7 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mm -145.97 146.29 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.1 m -117.38 178.86 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.5 m-85 -116.55 163.98 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.0 t -134.31 138.58 30.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.716 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.81 -50.65 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.341 -0.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.3 p -47.01 113.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.69 102.95 2.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.2 m80 -128.43 115.06 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.709 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -92.39 37.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 48' ' ' THR . 5.1 m -72.13 -34.74 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.03 HG22 HD13 ' A' ' 30' ' ' ILE . 71.9 p -100.0 160.53 14.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.2 179.01 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -54.15 -39.91 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.5 -63.06 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.6 m -54.63 -57.13 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.66 -44.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.01 -38.77 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -62.51 -41.23 98.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.9 m -81.5 116.49 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.07 -35.13 79.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -136.54 153.14 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.1 t -41.89 114.41 1.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.89 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -119.77 -38.91 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -109.16 -1.51 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.9 m-85 50.64 25.74 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.989 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.436 HG21 ' HD2' ' A' ' 42' ' ' PRO . 89.5 m -92.28 111.45 23.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.5 t -39.8 129.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.665 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.8 mt -92.6 97.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -98.06 22.51 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HB3' HG21 ' A' ' 41' ' ' VAL . 21.8 t80 -168.63 124.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -105.12 80.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -66.58 143.87 56.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -103.28 110.64 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.622 ' CG2' HG13 ' A' ' 39' ' ' VAL . 38.0 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.674 ' N ' HG23 ' A' ' 36' ' ' ILE . 19.3 t -44.68 155.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -116.55 -36.45 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.2 mp -60.48 -67.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -87.97 -34.26 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.3 mtp 60.71 44.91 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 -38.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 13.3 mmm180 -92.8 171.71 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' ILE . 1.7 p-10 -101.13 102.52 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 pp -33.88 110.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . . . -134.1 21.93 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 71' ' ' LYS . 39.0 mm -143.34 146.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 46' ' ' LEU . 1.6 m -118.05 174.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HZ ' HG21 ' A' ' 48' ' ' THR . 25.9 m-85 -110.88 155.35 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.5 t -128.96 136.77 29.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.8 -51.45 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.229 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.342 -0.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 18.1 p -46.25 115.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.46 105.3 3.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 69.0 m80 -122.24 115.9 23.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -79.29 43.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.93 30.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.712 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 1.1 p -154.81 136.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 21.6 p -87.73 -178.16 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -55.46 -40.74 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -72.55 -66.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.9 m -44.82 -63.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.428 ' C ' ' HE2' ' A' ' 69' ' ' LYS . . . -36.1 -43.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.26 -49.05 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.75 129.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.1 -30.94 39.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.8 ptpt -140.29 143.44 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.67 118.76 0.48 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.527 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 4.17 2.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.1 mmt -124.56 -33.28 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.8 m -112.57 -0.42 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 20.7 m-85 48.58 25.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -91.12 116.0 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.52 146.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 ' HD3' ' A' ' 69' ' ' LYS . 14.4 mt -108.29 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.2 t -87.6 -22.15 24.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 18.3 t80 -125.75 136.33 53.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.462 ' HD3' HG21 ' A' ' 66' ' ' ILE . 2.9 mmmp? -118.35 83.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -86.21 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HA ' HD13 ' A' ' 38' ' ' ILE . 28.3 ttpt -111.41 142.35 43.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 46' ' ' LEU . 42.5 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HG23 ' A' ' 36' ' ' ILE . 11.4 t -45.53 163.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -9.92 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.064 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -94.08 -59.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -91.15 -36.87 13.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 6.3 mtt 59.86 39.56 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.58 -45.24 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -119.15 -179.85 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.93 155.06 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.7 pt -86.14 121.72 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 24.03 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.8 mm -147.24 150.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.4 m -130.78 178.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 20.6 m-85 -111.66 170.57 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.9 t -142.59 138.16 16.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.76 -49.51 0.23 Allowed 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.317 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.2 p -42.83 115.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.18 100.42 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.558 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 52.8 m80 -128.43 116.6 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.789 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.68 26.5 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 48' ' ' THR . 3.6 m -62.97 -20.93 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.064 HG22 HD13 ' A' ' 30' ' ' ILE . 72.0 p -114.84 156.32 25.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 p -94.37 -174.12 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -54.17 -39.61 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -73.97 -70.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLN . 56.4 m -37.12 -53.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.01 -42.9 29.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.5 mt-10 -68.08 -37.93 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.6 84.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.0 m -105.68 112.8 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.5 m-20 -64.71 -38.41 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -111.74 155.69 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' TYR . 27.8 t -52.52 121.86 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.554 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 mmm -125.86 -31.42 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.558 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.0 m -117.83 9.99 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 37.8 29.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' CYS . 41.2 m -94.2 107.23 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -37.82 123.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG12 ' CD1' ' A' ' 40' ' ' PHE . 9.1 mt -82.9 93.35 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -90.02 8.02 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 29.8 t80 -156.8 118.42 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -100.59 78.23 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.692 ' HB3' HG22 ' A' ' 39' ' ' VAL . 61.8 tp60 -69.13 156.11 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.639 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 9.6 mttp -114.37 148.33 37.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.888 0.375 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.1 t -42.98 167.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -124.75 -35.39 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.905 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -68.68 -64.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -85.37 -40.76 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 2.5 mtt 60.97 45.74 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -40.14 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -110.31 165.18 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -86.83 119.67 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pp -45.2 118.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.02 26.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -147.6 145.18 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 46' ' ' LEU . 2.2 m -123.59 179.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 66' ' ' ILE . 24.6 m-85 -115.98 167.19 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 42' ' ' PRO . 48.6 t -139.55 137.09 18.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.63 0.729 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.646 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.78 -52.06 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.356 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.5 p -42.61 113.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.76 101.18 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.601 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 60.9 m80 -128.04 100.25 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.51 36.44 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 48' ' ' THR . 19.1 m -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.905 HG22 HD13 ' A' ' 30' ' ' ILE . 56.9 p -94.69 152.88 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -83.98 179.04 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -56.45 -43.3 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.38 -54.99 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.7 m -59.14 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.05 -41.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.21 -42.25 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -64.15 -46.77 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -76.79 112.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.7 -38.46 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -132.06 157.78 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -42.79 121.47 2.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 48' ' ' THR . 53.4 Cg_endo -69.76 5.39 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.9 mmt -128.28 -38.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.0 m -105.59 -7.45 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 7.3 m-85 52.89 34.78 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 42' ' ' PRO . 27.8 m -96.74 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -40.07 121.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.557 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.1 mt -82.3 87.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 -33.62 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -118.08 133.23 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.77 81.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -67.21 153.24 44.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -111.35 115.96 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.4 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.768 ' N ' HG23 ' A' ' 36' ' ' ILE . 17.4 t -44.65 158.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -121.86 -28.97 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.956 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -67.3 -56.78 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -98.43 -37.65 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp 59.49 43.71 15.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.74 -43.23 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -109.31 166.21 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -87.94 128.64 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.782 HG22 ' O ' ' A' ' 48' ' ' THR . 2.1 pp -54.85 126.54 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.29 16.72 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.686 HD13 ' HA ' ' A' ' 71' ' ' LYS . 34.0 mm -146.74 149.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.5 m -122.88 177.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.1 m-85 -110.7 156.04 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 69.0 t -132.98 139.45 34.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.77 -47.5 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.4 p -46.6 116.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.25 101.86 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.589 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 54.9 m80 -131.32 110.7 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.1 47.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 3.1 m -89.45 10.13 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.956 HG22 HD13 ' A' ' 30' ' ' ILE . 52.9 p -141.32 161.33 38.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -102.92 165.96 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 32.0 mttm -36.2 -44.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.31 -67.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.8 m -51.56 -60.92 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -37.03 -36.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -81.57 -43.69 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -58.4 -46.3 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.9 m -68.19 115.57 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.14 -38.37 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.66 ' HZ2' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -147.75 152.83 38.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.9 t -33.66 117.72 0.48 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 7.73 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -128.55 -38.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 9.3 m -105.66 -10.06 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 56.26 32.46 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.7 m -102.23 105.54 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' HZ2' ' A' ' 58' ' ' LYS . 47.0 t -42.35 124.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -69.92 93.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -84.96 12.98 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -169.31 122.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -97.0 89.97 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.764 ' HB3' HG22 ' A' ' 39' ' ' VAL . 18.1 tp60 -85.85 125.44 33.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.686 ' HA ' HD13 ' A' ' 38' ' ' ILE . 20.3 ttmt -88.16 137.51 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 36' ' ' ILE . 30.5 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 27' ' ' LEU . 18.5 t -43.32 163.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -119.11 -37.44 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.865 HD13 HG22 ' A' ' 48' ' ' THR . 2.2 mp -62.64 -69.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' ILE . 22.4 p -80.33 -41.36 24.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.0 mtp 63.92 42.26 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.07 -53.92 2.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 49' ' ' CYS . 3.8 ptm85 -109.0 -174.7 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.58 161.4 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.8 pt -84.99 123.1 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.01 20.86 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -147.61 151.44 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -130.99 179.19 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.423 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.5 m-85 -112.82 157.57 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 70.4 t -133.21 139.35 33.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.68 -51.36 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.37 -0.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.9 p -43.37 111.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.45 100.89 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 56.2 m80 -128.08 99.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.753 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.18 46.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 61' ' ' MET . 5.3 m -87.59 11.25 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.865 HG22 HD13 ' A' ' 30' ' ' ILE . 61.0 p -142.93 158.98 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 25.0 p -97.0 -179.74 4.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -49.24 -44.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.42 -68.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' ALA . 61.6 m -46.96 -59.4 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.43 -38.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -78.13 -45.97 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.54 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -65.27 114.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.73 -35.11 78.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.1 ptpt -148.24 150.89 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LYS . 24.0 t -37.12 115.37 0.7 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 9.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 47' ' ' VAL . 16.8 mtp -123.3 -43.52 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 6.3 m -106.99 -4.92 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 54.22 33.19 17.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -97.32 111.89 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.3 t -42.36 120.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.423 HG12 ' CD1' ' A' ' 40' ' ' PHE . 10.6 mt -75.71 89.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -78.71 -33.05 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -119.24 127.77 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -103.39 76.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 56.5 tp60 -62.35 152.23 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.487 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 25.4 mtpt -112.1 124.15 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.5 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.662 ' N ' HG23 ' A' ' 36' ' ' ILE . 10.5 t -43.04 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -129.06 -30.54 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -73.74 -65.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -85.92 -41.44 14.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mtp 60.32 46.4 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.16 -41.39 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -174.27 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -101.58 121.44 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 28' ' ' CYS . 1.3 pp -49.44 121.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.98 27.0 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 71' ' ' LYS . 24.3 mm -147.47 152.83 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 46' ' ' LEU . 3.4 m -130.42 178.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 66' ' ' ILE . 18.1 m-85 -109.35 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.697 HG13 ' HA ' ' A' ' 42' ' ' PRO . 74.1 t -148.13 138.14 12.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.662 0.744 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.697 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -50.09 0.2 Allowed 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.341 -0.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.2 p -41.07 114.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.13 101.46 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.605 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 63.7 m80 -130.91 101.38 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.61 49.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CE ' ' A' ' 61' ' ' MET . 35.6 m -95.07 7.76 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 30' ' ' ILE . 6.7 p -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' CYS . 13.3 ttpt -33.71 -48.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.96 -60.96 2.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' ALA . 90.7 m -59.9 -61.84 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.88 -37.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.77 -43.6 36.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -63.75 -46.4 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.2 m -59.82 119.28 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -20.24 60.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 13.7 ptpt -160.06 144.13 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' LYS . 20.9 t -34.01 116.72 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.7 9.08 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.429 ' CE ' HG11 ' A' ' 47' ' ' VAL . 43.6 mtm -127.08 -38.31 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.7 m -108.46 -5.23 16.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.6 m-85 52.29 39.66 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.2 m -104.29 109.37 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' THR . 67.1 t -35.6 138.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 40' ' ' PHE . 5.0 mm -77.46 92.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 t -87.69 2.5 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 40.4 t80 -166.31 163.07 17.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 66' ' ' ILE . 2.5 mptm? -135.0 79.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -76.37 131.49 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -95.47 132.1 40.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.441 HG12 ' C ' ' A' ' 37' ' ' ALA . 34.7 pt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.854 0.359 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.5 t -44.23 170.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -128.82 -26.58 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.856 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -81.77 -68.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -79.7 -37.33 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.5 mtt 56.63 45.03 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -115.03 -37.78 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -120.05 -174.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -103.38 120.17 40.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 46' ' ' LEU . 1.6 pp -42.77 125.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.609 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.87 22.23 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.609 HD13 ' O ' ' A' ' 37' ' ' ALA . 33.0 mm -146.24 154.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -129.78 177.57 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 66' ' ' ILE . 20.1 m-85 -111.38 172.35 6.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 42' ' ' PRO . 72.2 t -142.98 137.82 15.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 -50.63 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.353 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 14.5 p -43.68 116.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.14 99.24 2.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 58.2 m80 -129.07 100.41 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -84.33 43.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.735 HG23 HG23 ' A' ' 48' ' ' THR . 16.5 m -73.65 -33.19 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.856 HG22 HD13 ' A' ' 30' ' ' ILE . 34.3 p -105.15 150.69 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LYS . 27.5 p -85.49 155.53 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 pttt -38.05 -33.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 2.6 mt-30 -69.82 -58.33 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.05 -51.01 63.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.02 -47.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -61.19 -43.04 99.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.39 77.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 m -68.36 128.42 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.0 m-20 -75.69 -29.5 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' ILE . 8.1 ptpp? -147.78 150.78 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.0 t -35.23 121.57 0.61 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 5.19 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.1 mmt -126.53 -39.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.2 m -105.94 -6.23 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 53.58 31.32 12.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.6 m -97.25 106.24 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -39.24 128.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.0 mp -76.05 96.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 t -91.11 9.98 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 38.9 t80 -163.39 126.99 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -103.78 81.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB3' HG22 ' A' ' 39' ' ' VAL . 30.9 tp60 -71.19 146.65 48.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -111.5 116.59 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.55 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.6 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.606 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -41.45 165.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -120.93 -42.5 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.78 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -60.52 -68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 p -80.07 -34.28 38.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 mtp 62.95 44.26 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -133.52 -60.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 0.8 OUTLIER -71.39 -178.53 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.65 141.65 36.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.8 pt -72.92 114.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.85 18.33 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.783 HD11 ' HE2' ' A' ' 50' ' ' LYS . 49.6 mm -142.65 142.07 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 70' ' ' GLN . 4.8 m -119.91 179.29 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.524 ' CD1' HG12 ' A' ' 66' ' ' ILE . 21.3 m-85 -116.22 161.88 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 42' ' ' PRO . 19.8 t -132.94 136.62 27.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.73 -55.3 0.14 OUTLIER 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.355 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.506 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 15.4 p -40.79 109.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.65 100.95 2.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 50.2 m80 -125.4 100.68 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.785 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.88 39.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.87 16.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD13 ' A' ' 30' ' ' ILE . 58.4 p -139.63 161.74 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 34' ' ' ARG . 31.6 p -108.68 160.46 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.783 ' HE2' HD11 ' A' ' 38' ' ' ILE . 14.2 mmtt -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -62.46 -57.36 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ALA . 66.5 m -70.96 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.21 -44.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.57 -46.85 71.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -59.21 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -68.51 120.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.47 -36.01 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -133.22 152.65 51.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HG ' ' HD2' ' A' ' 40' ' ' PHE . 11.7 t -42.13 115.7 1.59 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.77 9.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.3 mmt -127.66 -39.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -104.97 -10.52 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 58.83 32.73 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' VAL . 47.1 m -98.9 109.73 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' THR . 95.7 t -36.67 117.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 40' ' ' PHE . 13.1 mt -77.95 83.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 t -72.58 -31.27 65.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -125.43 135.82 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -115.95 85.65 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 2.0 tm0? -70.58 129.38 39.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.4 ttpm? -94.6 116.21 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.846 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.686 ' N ' HG23 ' A' ' 36' ' ' ILE . 12.2 t -49.52 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 18.5 mtmt -128.44 -23.12 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.689 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -77.18 -65.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -88.54 -36.52 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mtp 58.76 44.37 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -119.74 -37.19 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 28.6 mtt85 -119.39 152.22 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.63 125.13 27.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.1 pp -48.32 126.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.17 12.68 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 71' ' ' LYS . 26.7 mm -144.09 149.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.815 HG12 HD12 ' A' ' 46' ' ' LEU . 3.4 m -116.71 174.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 66' ' ' ILE . 15.6 m-85 -109.39 152.06 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 42' ' ' PRO . 87.2 t -128.32 139.13 34.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.712 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.73 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 -49.95 0.21 Allowed 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.333 -0.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.7 p -49.62 115.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.08 104.56 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.0 m80 -121.88 112.97 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.864 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.83 46.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 61' ' ' MET . 32.0 m -110.64 23.59 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.689 HG22 HD13 ' A' ' 30' ' ' ILE . 3.1 p -152.23 139.48 19.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -91.59 161.8 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' CYS . 8.3 mtpm? -36.35 -46.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -62.01 -62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 94.4 m -55.46 -63.19 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -37.91 -45.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.26 -38.09 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.53 -47.12 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 60' ' ' PRO . 35.4 m -82.31 122.7 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.97 -30.49 66.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.5 ptpt -134.12 142.43 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.4 t -35.05 116.63 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.73 4.11 2.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.396 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.502 ' HG3' HG21 ' A' ' 47' ' ' VAL . 35.9 mmm -122.86 -31.12 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -116.84 2.73 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.3 m-85 45.68 26.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 28.5 m -89.37 114.06 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -38.4 133.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -102.53 104.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -107.84 22.58 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.2 t80 -163.45 145.4 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -130.25 92.78 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -92.56 152.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 24.0 ttmt -97.66 151.88 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 HG13 ' A' ' 39' ' ' VAL . 2.7 pp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.635 ' N ' HD22 ' A' ' 27' ' ' LEU . 14.9 t -37.39 155.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -119.34 -28.99 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.668 HD13 HG22 ' A' ' 48' ' ' THR . 4.2 mp -68.35 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -89.2 -33.53 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 mtp 57.65 45.92 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -124.72 -40.95 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -107.19 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -96.7 142.72 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.596 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.5 pt -69.98 114.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 20.77 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.883 HG21 ' HE2' ' A' ' 69' ' ' LYS . 29.2 mm -144.71 139.22 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.8 m -116.07 178.36 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 66' ' ' ILE . 31.8 m-85 -114.85 157.09 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 3.6 t -129.79 136.78 29.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.347 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 15.3 p -42.98 113.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.93 103.22 3.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 59.6 m80 -129.01 99.34 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.48 44.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.06 13.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.668 HG22 HD13 ' A' ' 30' ' ' ILE . 44.4 p -138.62 159.56 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.9 p -105.74 159.27 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HD3' HD11 ' A' ' 38' ' ' ILE . 5.7 mmmm -33.99 -41.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.9 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' ALA . 77.8 m -55.66 -66.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 48' ' ' THR . . . -35.42 -34.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' CYS . 7.5 mm-40 -76.55 -43.56 38.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -68.69 -44.42 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -63.79 120.06 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.24 -30.3 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 66' ' ' ILE . 12.5 ptpt -146.56 145.81 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.8 t -33.91 116.39 0.48 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 8.84 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.3 mtt -125.43 -41.59 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.585 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.6 m -106.08 -17.73 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 67.96 27.26 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' VAL . 34.9 m -94.41 101.02 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' THR . 79.0 t -34.19 122.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 58' ' ' LYS . 4.7 mp -57.23 94.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 -30.07 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 49.3 t80 -147.75 131.27 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.883 ' HE2' HG21 ' A' ' 38' ' ' ILE . 6.6 tptm -98.32 97.58 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' HG22 ' A' ' 39' ' ' VAL . 35.1 tp60 -91.45 137.21 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -95.71 143.32 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.6 pt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.152 179.804 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.821 0.343 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.8 t -43.9 168.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -123.94 -38.88 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.569 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.9 mp -63.77 -66.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -80.9 -42.93 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtp 60.42 45.61 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.71 -40.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -116.81 151.44 36.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -67.87 143.89 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.9 140.85 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.7 11.94 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 24.2 mm -133.13 148.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 HD12 ' A' ' 46' ' ' LEU . 2.4 m -116.84 178.32 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 18.3 m-85 -113.0 151.24 30.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 42' ' ' PRO . 68.8 t -127.84 137.5 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.673 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 -50.45 0.19 OUTLIER 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.294 -0.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.6 p -49.27 116.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.73 106.56 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.615 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 73.3 m80 -123.91 112.01 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.832 HD12 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -75.33 47.73 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.81 14.16 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.542 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 2.1 p -143.87 128.46 18.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.7 p -88.78 169.5 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.7 mtmm -41.94 -46.37 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.83 -65.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 92.6 m -56.07 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.91 -40.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 50' ' ' LYS . 35.2 mm-40 -70.11 -42.94 72.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.78 -48.16 83.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -75.06 121.11 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.64 -33.56 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -132.25 145.33 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -37.77 113.1 0.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 8.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.6 mtt -123.14 -38.36 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.8 m -112.23 -2.1 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 54.35 25.24 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.427 HG21 ' HD2' ' A' ' 42' ' ' PRO . 82.9 m -90.04 110.22 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -38.43 132.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.513 ' CD1' ' CE1' ' A' ' 40' ' ' PHE . 11.6 mt -92.59 95.39 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 t -93.95 18.91 9.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -166.51 152.22 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -129.93 105.53 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -109.08 154.1 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 11.4 ptpt -120.59 126.77 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.89 0.376 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.596 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.9 t -43.59 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -120.75 -38.59 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.672 HD13 HG22 ' A' ' 48' ' ' THR . 3.0 mp -67.97 -72.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -72.17 -41.37 67.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 12.5 mtp 61.6 42.63 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -119.31 -51.77 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -109.09 167.22 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.494 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -66.88 158.1 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER -72.45 -79.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' C ' HG12 ' A' ' 38' ' ' ILE . . . 58.06 25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' NZ ' ' A' ' 71' ' ' LYS . 14.7 mm -148.37 145.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.7 m -133.86 177.09 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' HG12 ' A' ' 66' ' ' ILE . 23.8 m-85 -116.51 156.37 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.4 t -129.35 136.8 29.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.587 0.708 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.81 -53.49 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.35 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 15.5 p -41.44 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.57 100.39 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.616 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.6 m80 -122.42 109.88 14.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.32 66.62 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG23 HG23 ' A' ' 48' ' ' THR . 27.3 m -111.36 -28.61 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 30' ' ' ILE . 69.0 p -100.68 153.37 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.01 176.36 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' ILE . 2.1 ttpm? -48.46 -26.7 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -86.09 -68.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 67.0 m -48.93 -54.2 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.58 -44.74 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.15 -42.03 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.78 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -74.02 122.4 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.03 -33.03 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 5.2 ptpp? -141.72 150.02 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LYS . 19.1 t -35.61 114.49 0.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.735 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.4 Cg_endo -69.69 10.31 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 mtt -126.08 -39.5 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.616 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 8.1 m -105.93 -14.3 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 67.4 25.9 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 42' ' ' PRO . 23.1 m -91.98 122.37 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 58' ' ' LYS . 91.5 t -45.2 125.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.3 mt -89.69 86.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -82.3 -27.15 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -117.1 133.39 56.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -114.86 70.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.582 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -61.22 155.21 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 24.9 mtpp -125.28 89.27 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.425 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 22.4 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.2 t -43.21 170.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 25.4 mtmt -131.51 -34.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HG22 ' A' ' 48' ' ' THR . 2.5 mp -71.75 -64.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -87.63 -37.04 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.4 mtp 61.32 45.13 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.59 -52.55 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -107.11 156.94 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.93 147.56 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 46' ' ' LEU . 2.2 pp -78.77 120.89 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 23.32 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -147.68 151.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.6 m -127.66 178.04 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.496 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.6 m-85 -111.13 165.05 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 42' ' ' PRO . 71.0 t -136.82 139.08 27.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.726 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.76 -47.13 0.32 Allowed 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.348 -0.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.6 p -45.4 115.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.16 104.11 3.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 64.6 m80 -126.42 102.28 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.853 ' HB2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -83.63 34.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 HG23 ' A' ' 48' ' ' THR . 26.1 m -83.32 -25.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.876 HG22 HD13 ' A' ' 30' ' ' ILE . 81.8 p -100.74 157.71 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.0 p -104.73 158.84 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' CYS . 20.1 ttpt -33.85 -49.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -53.94 -65.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' HG22 ' A' ' 56' ' ' VAL . 71.9 m -59.69 -58.53 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.75 -44.82 3.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -70.67 -43.81 68.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.56 86.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.5 m -84.73 122.43 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.74 21.17 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -175.26 130.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' TYR . 32.1 t -42.18 113.87 1.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HG2' ' CE ' ' A' ' 61' ' ' MET . 53.9 Cg_endo -69.8 1.19 4.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.569 ' CE ' HD11 ' A' ' 30' ' ' ILE . 1.8 mpt? -105.92 -38.64 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 6.2 m -112.53 -6.29 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' CYS . 8.4 m-85 58.65 24.98 12.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.0 m -94.43 115.19 27.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.8 124.2 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 40' ' ' PHE . 6.9 mt -81.14 90.59 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.1 t -83.55 17.06 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 22.9 t80 -167.03 131.88 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -106.3 61.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -48.94 152.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -118.52 131.44 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.855 0.36 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.602 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -44.12 168.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -128.47 -27.22 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.773 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -76.3 -59.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -94.03 -36.17 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 23.7 mtp 59.03 45.71 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 -41.98 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 51' ' ' GLN . 52.3 mtt-85 -118.49 160.73 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -77.64 131.47 37.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.002 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.3 pp -57.93 123.92 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.686 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.97 22.38 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.527 HD13 ' O ' ' A' ' 37' ' ' ALA . 44.0 mm -142.66 153.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 46' ' ' LEU . 1.4 m -121.58 176.95 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 20.3 m-85 -116.96 150.68 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.74 HG13 ' HA ' ' A' ' 42' ' ' PRO . 55.0 t -127.08 139.05 34.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.74 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.1 Cg_endo -69.74 -48.72 0.26 Allowed 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.373 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 40' ' ' PHE . 17.4 p -51.57 116.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -97.73 107.84 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.597 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 65.2 m80 -128.09 109.76 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.002 ' HB3' HD13 ' A' ' 36' ' ' ILE . 2.2 mm? -76.29 50.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 61' ' ' MET . 27.9 m -110.3 17.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.773 HG22 HD13 ' A' ' 30' ' ' ILE . 1.7 p -147.12 139.46 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' CYS . 32.1 p -90.85 151.57 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -40.54 -33.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 30.8 mt-30 -67.69 -41.64 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' CYS . 66.9 m -82.49 -53.15 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.01 -43.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -64.88 -47.33 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.85 -46.78 89.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.9 m -73.51 114.95 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.85 -36.48 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.1 ptpp? -138.33 151.2 47.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -34.75 117.36 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.78 8.52 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.416 ' HG3' HG21 ' A' ' 47' ' ' VAL . 28.7 mmm -128.77 -37.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 9.0 m -107.59 -7.41 16.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.5 m-85 55.11 30.01 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' VAL . 59.3 m -96.38 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' THR . 88.2 t -36.05 139.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.426 HD13 ' CE1' ' A' ' 40' ' ' PHE . 15.4 mt -100.62 89.16 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 t -92.83 19.45 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -173.03 124.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -110.64 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -92.79 169.71 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 27.9 mtpt -129.9 130.16 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.785 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.748 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.639 ' O ' HD22 ' A' ' 27' ' ' LEU . 11.8 t -43.46 163.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -120.67 -31.01 4.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.807 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -71.7 -66.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -85.64 -38.26 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.426 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 40.8 mtp 61.69 40.49 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.79 -51.74 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 9.2 ptm180 -113.64 175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -81.76 149.25 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.932 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.5 pp -75.2 121.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.97 29.11 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.2 mm -147.67 144.44 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 46' ' ' LEU . 2.0 m -113.56 178.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.591 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 21.5 m-85 -115.38 154.07 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 42' ' ' PRO . 58.3 t -129.24 137.39 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.77 -50.91 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.0 p -48.57 116.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.19 105.46 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.61 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 69.7 m80 -125.82 113.16 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.932 ' HB3' HD13 ' A' ' 36' ' ' ILE . 1.1 mm? -84.24 67.17 9.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.7 m -119.84 1.58 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.807 HG22 HD13 ' A' ' 30' ' ' ILE . 3.0 p -131.4 152.11 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.92 -175.01 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -60.13 -43.46 95.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.484 ' NE2' ' HD3' ' A' ' 34' ' ' ARG . 2.7 mp0 -65.78 -62.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 85.1 m -54.7 -57.94 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.96 -46.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.89 -42.42 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.28 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.8 m -67.84 120.97 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.8 ptpt -137.77 144.04 41.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -34.87 118.91 0.57 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.591 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.75 4.37 2.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.9 mtm -121.9 -37.99 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.8 m -111.68 0.91 16.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.8 m-85 47.72 30.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 47.6 m -89.35 114.26 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.1 t -39.57 115.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 40' ' ' PHE . 19.8 mt -85.07 94.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -95.81 19.7 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -164.58 156.64 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -133.51 88.35 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.693 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 38.1 tp60 -88.41 158.06 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.693 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 14.5 mtpt -120.42 143.61 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.847 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.85 0.357 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.547 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.0 t -41.07 145.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -101.79 -33.15 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -68.39 -77.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 30' ' ' ILE . 14.4 p -74.24 -30.33 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 26.9 mtp 56.38 43.77 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.29 -51.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -95.42 168.43 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.1 142.54 28.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -77.31 119.58 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . -134.97 23.43 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.636 HD11 ' NZ ' ' A' ' 50' ' ' LYS . 24.1 mm -143.23 146.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 46' ' ' LEU . 1.3 m -123.99 179.09 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.6 m-85 -118.97 154.48 32.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 42' ' ' PRO . 54.3 t -130.16 140.32 38.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.784 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -51.62 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.301 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 19.7 p -42.01 107.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.5 102.49 2.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 47.8 m80 -130.12 96.91 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.702 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.27 45.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.471 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 32.1 m -98.51 26.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -146.61 146.98 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' LYS . 29.1 p -98.54 158.23 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.636 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 39.6 mmtt -34.27 -48.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.43 -60.58 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ALA . 74.9 m -64.38 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.8 -39.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.67 -44.28 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.1 m -71.63 116.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -67.07 -34.93 78.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.6 ptpt -137.0 150.46 48.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' TYR . 12.0 t -36.06 115.96 0.62 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 6.46 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.218 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.3 mmt -123.6 -37.14 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' ' CE1' ' A' ' 45' ' ' HIS . 7.2 m -110.74 -1.92 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.3 m-85 52.01 26.84 3.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.0 m -92.96 113.44 25.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.7 t -40.86 125.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.748 HG22 ' HD2' ' A' ' 69' ' ' LYS . 12.9 mt -90.01 90.84 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -81.08 -24.28 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -124.36 130.02 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.748 ' HD2' HG22 ' A' ' 66' ' ' ILE . 1.6 mptt -113.86 97.88 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -91.86 144.47 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' ALA . 3.3 ttmm -101.48 127.27 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -136.31 156.23 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -139.5 169.19 18.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.95 95.75 1.45 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -139.02 105.39 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -129.59 151.76 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.68 96.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -93.43 143.89 25.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.357 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.73 94.67 9.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -157.61 160.0 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -170.34 145.08 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.22 152.84 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 7.6 mt -98.23 141.09 16.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 m -84.02 165.18 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.2 t -58.12 -28.9 65.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -57.19 -64.08 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 6.2 tp10 -63.7 -55.2 25.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.5 -63.63 0.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.7 mp -52.6 -45.18 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -54.03 -15.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 14.5 mtp-105 -88.46 -52.92 4.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -83.95 -50.62 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LEU . 34.1 mt-30 -51.17 -31.38 19.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -98.42 28.03 4.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.41 -25.82 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 27' ' ' LEU . 9.2 pttm -104.55 -39.17 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -49.26 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.667 ' O ' HD22 ' A' ' 27' ' ' LEU . 12.8 t -45.34 153.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -116.48 -25.79 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.004 HD13 HG22 ' A' ' 48' ' ' THR . 2.8 mp -70.42 -58.77 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.12 -28.38 14.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.4 mtp 55.03 42.66 30.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -121.09 -44.89 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 53.1 mtp180 -104.97 176.84 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -95.91 145.54 25.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -72.21 115.42 12.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.778 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.67 21.24 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 mm -147.16 147.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.0 m -117.53 178.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 66' ' ' ILE . 22.8 m-85 -116.51 156.8 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.706 HG13 ' HA ' ' A' ' 42' ' ' PRO . 77.8 t -130.43 138.55 33.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.648 0.737 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.706 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -50.87 0.17 OUTLIER 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.355 -0.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 18.0 p -44.91 114.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.48 97.25 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 43' ' ' CYS . 52.8 m80 -125.92 102.57 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.61 34.1 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.91 4.78 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.004 HG22 HD13 ' A' ' 30' ' ' ILE . 40.3 p -130.64 158.43 40.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.5 p -99.01 171.82 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -42.88 -49.69 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 77.4 mt-30 -59.68 -69.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ALA . 99.1 m -50.41 -62.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.08 -44.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.04 -42.41 47.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.56 76.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 m -76.59 120.08 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.53 -36.84 76.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 8.8 ptpt -130.12 145.07 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.5 t -35.69 118.54 0.64 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 2.82 3.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 mmt -123.32 -36.54 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.7 m -109.4 2.51 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 45.24 25.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 42' ' ' PRO . 98.9 m -91.4 111.22 22.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' THR . 92.7 t -36.31 135.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.9 mt -100.89 93.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 t -95.58 22.05 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.1 t80 -168.14 127.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -109.19 80.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.72 ' HB3' HG22 ' A' ' 39' ' ' VAL . 49.8 tp60 -73.64 139.51 45.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -108.69 125.56 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.778 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -97.84 167.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -129.82 52.44 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . 2.7 mtt -50.94 -53.12 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' MET . 1.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -119.29 109.76 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -87.62 -45.76 10.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.48 111.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -117.07 110.72 18.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.917 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -98.9 139.25 34.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.84 145.01 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -108.77 169.43 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 mt -116.22 100.36 7.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -131.97 91.5 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -149.47 120.92 7.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -144.54 165.87 26.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 54.5 mt -91.81 140.03 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.6 m -79.37 166.98 21.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.417 ' O ' HD13 ' A' ' 19' ' ' LEU . 14.6 t -58.99 -26.27 64.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -66.15 -57.1 8.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.37 -52.01 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 32.6 mt-30 -46.77 -61.6 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.0 mp -52.55 -41.35 63.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 1.9 ttt180 -57.91 -15.67 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -86.75 -47.79 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -52.19 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' LEU . 32.1 mt-30 -50.3 -53.65 27.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 27' ' ' LEU . 8.9 pt-20 -47.88 -24.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.56 23.31 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' GLN . 50.4 mttm -132.68 -59.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -54.75 -176.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.58 ' O ' HD22 ' A' ' 27' ' ' LEU . 15.8 t -45.83 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -127.35 -27.48 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 48' ' ' THR . 3.2 mp -72.54 -55.56 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.4 p -98.71 -27.15 14.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.1 mtp 51.84 42.32 29.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -121.24 -45.35 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 11.8 mtp-105 -102.69 -175.5 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.49 148.62 25.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.727 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.8 pt -74.82 112.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -132.1 22.91 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 71' ' ' LYS . 23.6 mm -146.54 149.35 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.3 m -127.15 178.96 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.631 ' CE1' HD13 ' A' ' 66' ' ' ILE . 20.9 m-85 -116.42 163.53 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 1.9 t -134.02 137.81 29.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.71 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.356 -0.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.8 p -42.18 116.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.48 100.38 2.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -125.07 108.71 12.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.727 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -87.46 45.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.61 22.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.719 HG22 HD13 ' A' ' 30' ' ' ILE . 62.7 p -148.28 155.52 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.0 p -103.21 163.28 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' CYS . 17.4 mtmm -36.87 -41.77 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -65.74 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' ALA . 98.9 m -55.7 -61.12 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.18 -39.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.65 -44.15 44.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.55 -44.51 96.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -77.29 115.3 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -66.8 -32.53 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -137.09 155.25 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 63' ' ' TYR . 13.3 t -43.87 118.02 2.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.39 2.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.2 mtt -120.65 -36.84 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 m -112.33 1.9 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.0 m-85 46.6 30.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -94.6 118.24 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.08 125.77 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.631 HD13 ' CE1' ' A' ' 40' ' ' PHE . 9.4 mt -92.38 88.68 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.8 t -80.27 -29.95 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -113.9 133.61 55.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -112.4 84.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.569 ' HB3' HG22 ' A' ' 39' ' ' VAL . 19.8 tp60 -82.09 132.28 35.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 38' ' ' ILE . 17.2 ttmt -93.37 141.8 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.745 HD13 ' CE ' ' A' ' 74' ' ' MET . 2.3 pp -126.66 -177.73 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' N ' HD12 ' A' ' 72' ' ' ILE . 68.4 m-85 -156.72 105.66 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.745 ' CE ' HD13 ' A' ' 72' ' ' ILE . 20.9 mmt -95.0 -50.3 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -143.95 136.71 27.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -122.7 175.35 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.55 51.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -100.5 42.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 110.878 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -156.85 126.45 6.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.823 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.12 56.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 99.2 p -60.06 101.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.877 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD13 ' N ' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -37.28 114.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' N ' HD13 ' A' ' 9' ' ' LEU . 40.1 tt0 -54.33 133.03 45.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -144.76 123.35 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -130.96 169.87 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 53.0 mt -87.1 137.56 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.4 t -77.22 162.17 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 t -49.77 -37.39 29.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -53.13 -65.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.0 mt-10 -61.1 -56.01 25.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -42.53 -64.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 ' HG ' ' NE2' ' A' ' 23' ' ' GLN . 5.7 mp -48.23 -51.23 26.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -46.96 -18.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -81.65 -56.46 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -86.49 -47.23 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 32.0 mt-30 -51.64 -23.8 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 4.4 pt-20 -90.73 -20.15 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -94.61 14.71 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 19.0 pttt -134.99 -41.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -56.77 -178.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.754 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -37.74 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -122.21 -27.68 4.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.8 mp -74.5 -63.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.57 -33.9 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.455 ' HA ' HD21 ' A' ' 27' ' ' LEU . 27.0 mtp 60.86 44.75 10.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -119.68 -48.33 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -101.97 166.62 10.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -90.3 113.5 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.9 pp -43.87 121.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 15.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -137.6 149.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 72' ' ' ILE . 3.1 m -118.45 179.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.0 m-85 -115.52 155.3 27.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.739 HG13 ' HA ' ' A' ' 42' ' ' PRO . 73.7 t -129.43 139.26 35.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.739 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.72 -51.32 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.361 -0.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.4 p -44.1 111.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.43 103.47 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -134.3 102.3 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.12 43.08 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -90.27 18.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -145.02 146.31 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -94.06 154.33 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' CYS . 28.4 ttmt -33.47 -45.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.36 -61.76 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.8 m -57.69 -55.95 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.22 -36.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -76.6 -42.7 41.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -65.95 -46.16 79.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.2 m -67.48 122.52 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.32 -35.65 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.2 ptpt -145.68 153.84 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -35.67 116.16 0.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.69 5.93 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.0 mmm -124.21 -41.89 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.4 m -103.4 -20.3 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 67.99 25.02 7.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 42' ' ' PRO . 55.3 m -88.25 103.84 16.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' THR . 74.7 t -33.04 107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 40' ' ' PHE . 20.2 mt -50.02 97.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -78.89 -28.94 44.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' A' ' 41' ' ' VAL . 43.4 t80 -148.65 157.28 43.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -129.62 89.08 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.58 134.06 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.62 132.95 33.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.854 HD12 ' HG2' ' A' ' 74' ' ' MET . 43.2 pt -102.01 166.77 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' MET . 17.1 m-85 -131.14 41.22 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.854 ' HG2' HD12 ' A' ' 72' ' ' ILE . 24.4 mmt -37.15 -52.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -160.1 152.23 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -157.75 174.51 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.65 125.92 2.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -161.69 169.62 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -160.4 137.97 9.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.39 91.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.713 ' C ' HD22 ' A' ' 9' ' ' LEU . 39.5 m -115.31 110.92 20.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 8' ' ' SER . 3.7 mm? -125.25 168.12 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -68.33 117.86 10.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -106.59 112.58 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -152.85 157.09 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 42.3 mt -89.19 155.91 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 13' ' ' ILE . 2.1 t -95.59 167.6 11.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -58.89 -38.65 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.01 -64.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 10.8 tt0 -61.36 -59.98 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 24.4 mt-30 -38.71 -63.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.7 -42.35 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 1.4 tpp180 -59.09 -11.49 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -91.9 -50.05 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.53 -49.05 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -50.11 -29.54 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.77 22.79 3.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -127.2 -24.02 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 27' ' ' LEU . 40.5 pttt -102.9 -42.68 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -49.05 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.5 t -42.12 168.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -25.74 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.03 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -76.81 -59.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.3 p -90.52 -28.75 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.442 ' HA ' HD21 ' A' ' 27' ' ' LEU . 21.3 mtp 53.94 44.49 29.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -133.38 -48.02 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -87.72 -175.0 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -110.2 140.52 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.602 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.0 pt -74.51 112.17 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.32 23.7 3.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.0 mm -145.97 146.29 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.1 m -117.38 178.86 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.5 m-85 -116.55 163.98 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.0 t -134.31 138.58 30.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.716 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.81 -50.65 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.341 -0.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.3 p -47.01 113.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.69 102.95 2.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -128.43 115.06 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.827 0.346 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.709 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -92.39 37.83 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 48' ' ' THR . 5.1 m -72.13 -34.74 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.03 HG22 HD13 ' A' ' 30' ' ' ILE . 71.9 p -100.0 160.53 14.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.2 179.01 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -54.15 -39.91 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.5 -63.06 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.6 m -54.63 -57.13 12.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.66 -44.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.01 -38.77 79.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -62.51 -41.23 98.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.9 m -81.5 116.49 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.07 -35.13 79.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -136.54 153.14 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.1 t -41.89 114.41 1.32 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.89 2.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -119.77 -38.91 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -109.16 -1.51 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.9 m-85 50.64 25.74 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.989 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 HG21 ' HD2' ' A' ' 42' ' ' PRO . 89.5 m -92.28 111.45 23.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.5 t -39.8 129.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.665 HD13 ' CE1' ' A' ' 40' ' ' PHE . 12.8 mt -92.6 97.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -98.06 22.51 9.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HB3' HG21 ' A' ' 41' ' ' VAL . 21.8 t80 -168.63 124.17 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -105.12 80.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -66.58 143.87 56.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -103.28 110.64 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.622 ' CG2' HG13 ' A' ' 39' ' ' VAL . 38.0 pt -92.26 162.26 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -133.69 80.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 17.3 mmt -79.19 -46.01 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -168.5 109.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -170.8 133.88 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.52 116.35 1.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -159.28 118.86 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.885 0.374 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -151.96 153.71 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.52 66.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 9' ' ' LEU . 19.0 m -140.23 115.49 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.905 0.384 . . . . 0.0 110.824 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD12 ' C ' ' A' ' 8' ' ' SER . 10.1 mp -126.41 86.94 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -173.06 124.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.35 108.8 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -60.95 166.09 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 HD13 ' NH1' ' A' ' 21' ' ' ARG . 31.6 mt -86.53 137.36 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.2 m -76.77 162.44 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 16' ' ' GLU . 12.7 t -53.69 -40.03 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 15' ' ' THR . 35.7 mt-10 -48.69 -59.77 3.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -66.26 -60.25 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -39.4 -59.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 7.1 mp -56.08 -43.3 77.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.13 -13.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' NH1' HD13 ' A' ' 13' ' ' ILE . 36.6 mtt85 -91.18 -46.98 7.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -51.56 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' LEU . 24.8 mt-30 -53.97 -22.12 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.24 -30.05 38.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.35 6.15 41.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -111.61 -61.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.86 178.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.674 ' N ' HG23 ' A' ' 36' ' ' ILE . 19.3 t -44.68 155.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -116.55 -36.45 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 30' ' ' ILE . 4.2 mp -60.48 -67.45 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -87.97 -34.26 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.3 mtp 60.71 44.91 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.77 -38.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' HB2' ' CB ' ' A' ' 49' ' ' CYS . 13.3 mmm180 -92.8 171.71 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' ILE . 1.7 p-10 -101.13 102.52 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.7 pp -33.88 110.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 50' ' ' LYS . . . -134.1 21.93 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 71' ' ' LYS . 39.0 mm -143.34 146.21 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.035 HG12 ' CD1' ' A' ' 46' ' ' LEU . 1.6 m -118.05 174.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.712 ' HZ ' HG21 ' A' ' 48' ' ' THR . 25.9 m-85 -110.88 155.35 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.5 t -128.96 136.77 29.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.8 -51.45 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.229 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.342 -0.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 18.1 p -46.25 115.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.46 105.3 3.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.24 115.9 23.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.035 ' CD1' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -79.29 43.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.93 30.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.712 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 1.1 p -154.81 136.79 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 34' ' ' ARG . 21.6 p -87.73 -178.16 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' CE ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -55.46 -40.74 72.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -72.55 -66.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.9 m -44.82 -63.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' C ' ' HE2' ' A' ' 69' ' ' LYS . . . -36.1 -43.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -73.68 -41.51 62.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.26 -49.05 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.75 129.6 36.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.1 -30.94 39.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.8 ptpt -140.29 143.44 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -33.67 118.76 0.48 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.527 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 4.17 2.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.1 mmt -124.56 -33.28 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.57 -0.42 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' CYS . 20.7 m-85 48.58 25.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -91.12 116.0 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.6 t -38.52 146.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 ' HD3' ' A' ' 69' ' ' LYS . 14.4 mt -108.29 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.2 t -87.6 -22.15 24.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 18.3 t80 -125.75 136.33 53.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.462 ' HD3' HG21 ' A' ' 66' ' ' ILE . 2.9 mmmp? -118.35 83.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -86.21 152.93 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HE3' ' CZ ' ' A' ' 73' ' ' PHE . 28.3 ttpt -111.41 142.35 43.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.534 HG21 ' CD1' ' A' ' 46' ' ' LEU . 42.5 pt -96.35 159.63 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.593 ' CZ ' ' HE3' ' A' ' 71' ' ' LYS . 38.9 m-85 -134.9 50.55 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.424 ' CG ' HD12 ' A' ' 72' ' ' ILE . 8.2 mmt -47.67 -41.89 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.829 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m -143.02 133.72 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -168.18 145.54 4.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.28 129.21 5.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -171.85 122.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -156.09 175.6 13.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.13 132.15 1.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.7 m -107.93 132.98 52.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.81 139.5 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -127.84 155.47 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -140.84 123.8 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -95.02 163.89 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.521 HG22 ' HG3' ' A' ' 18' ' ' GLN . 19.1 mt -96.51 142.22 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' THR . 23.3 t -88.05 139.36 30.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' SER . 9.7 t -35.45 -35.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' SER . 34.8 mt-10 -57.04 -57.67 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 68.0 tt0 -70.83 -47.81 57.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.521 ' HG3' HG22 ' A' ' 13' ' ' ILE . 31.7 mt-30 -48.4 -58.72 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 ' HG ' ' NE2' ' A' ' 23' ' ' GLN . 5.5 mp -54.0 -48.51 70.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 14.1 mmt180 -48.03 -17.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 26.8 mtm105 -85.46 -55.91 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -85.48 -47.65 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 31.6 mt-30 -53.43 -28.76 31.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 10.9 pt-20 -83.67 12.05 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -120.96 -10.38 9.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' LEU . 24.4 pttt -114.77 -35.24 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.72 -175.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.97 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.658 ' N ' HG23 ' A' ' 36' ' ' ILE . 11.4 t -45.53 163.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -9.92 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.064 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -94.08 -59.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 p -91.15 -36.87 13.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.477 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 6.3 mtt 59.86 39.56 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.58 -45.24 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -119.15 -179.85 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.93 155.06 20.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.789 HG21 ' O ' ' A' ' 46' ' ' LEU . 2.7 pt -86.14 121.72 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.93 24.03 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.8 mm -147.24 150.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.4 m -130.78 178.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 20.6 m-85 -111.66 170.57 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' ' 42' ' ' PRO . 75.9 t -142.59 138.16 16.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.581 0.705 . . . . 0.0 111.181 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.686 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.76 -49.51 0.23 Allowed 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.317 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.2 p -42.83 115.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.18 100.42 2.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -128.43 116.6 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.789 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.68 26.5 3.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 48' ' ' THR . 3.6 m -62.97 -20.93 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.064 HG22 HD13 ' A' ' 30' ' ' ILE . 72.0 p -114.84 156.32 25.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.3 p -94.37 -174.12 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -54.17 -39.61 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -73.97 -70.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLN . 56.4 m -37.12 -53.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.01 -42.9 29.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.5 mt-10 -68.08 -37.93 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.6 84.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.0 m -105.68 112.8 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.5 m-20 -64.71 -38.41 90.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -111.74 155.69 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' TYR . 27.8 t -52.52 121.86 23.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.554 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 4.01 2.44 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.7 mmm -125.86 -31.42 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' THR . 7.0 m -117.83 9.99 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.8 m-85 37.8 29.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' CYS . 41.2 m -94.2 107.23 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -37.82 123.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG12 ' CD1' ' A' ' 40' ' ' PHE . 9.1 mt -82.9 93.35 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -90.02 8.02 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 29.8 t80 -156.8 118.42 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -100.59 78.23 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.692 ' HB3' HG22 ' A' ' 39' ' ' VAL . 61.8 tp60 -69.13 156.11 39.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.639 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 9.6 mttp -114.37 148.33 37.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 pt -121.39 -41.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 51.21 53.62 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.8 mmt -40.58 -47.4 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.795 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -171.51 147.69 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -166.8 175.56 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.46 114.02 2.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -152.22 124.76 8.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -165.48 145.16 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.96 154.88 13.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.2 p -143.74 164.28 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 9' ' ' LEU . 3.5 mm? -115.53 158.88 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -144.22 158.76 43.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -173.79 146.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -154.14 164.52 38.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.503 HG22 ' HG3' ' A' ' 18' ' ' GLN . 41.9 mt -85.82 142.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 m -80.21 170.44 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -64.65 -31.54 72.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 19.9 mp0 -58.29 -63.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 9.4 tp10 -63.3 -53.13 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HG3' HG22 ' A' ' 13' ' ' ILE . 32.5 mt-30 -44.69 -64.22 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.8 mp -49.91 -47.17 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -50.88 -15.96 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -86.89 -52.99 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -87.59 -49.11 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 19' ' ' LEU . 28.3 mt-30 -52.2 -29.68 23.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.38 19.11 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -122.47 -14.06 7.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' LEU . 46.4 mttt -101.41 -52.98 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.964 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -47.11 177.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.1 t -42.98 167.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -124.75 -35.39 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.905 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -68.68 -64.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -85.37 -40.76 16.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 2.5 mtt 60.97 45.74 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -40.14 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -110.31 165.18 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -86.83 119.67 27.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.6 pp -45.2 118.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.02 26.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.055 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -147.6 145.18 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG12 ' HB3' ' A' ' 46' ' ' LEU . 2.2 m -123.59 179.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' HG12 ' A' ' 66' ' ' ILE . 24.6 m-85 -115.98 167.19 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG13 ' HA ' ' A' ' 42' ' ' PRO . 48.6 t -139.55 137.09 18.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.63 0.729 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.646 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.78 -52.06 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.356 -0.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -42.61 113.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.76 101.18 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -128.04 100.25 5.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.778 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -83.51 36.44 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 48' ' ' THR . 19.1 m -70.1 -42.61 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.905 HG22 HD13 ' A' ' 30' ' ' ILE . 56.9 p -94.69 152.88 18.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.8 p -83.98 179.04 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -56.45 -43.3 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.38 -54.99 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 64.7 m -59.14 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.05 -41.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.21 -42.25 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -64.15 -46.77 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -76.79 112.28 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.7 -38.46 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -132.06 157.78 43.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 63' ' ' TYR . 10.8 t -42.79 121.47 2.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.653 0.739 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HG3' HG21 ' A' ' 48' ' ' THR . 53.4 Cg_endo -69.76 5.39 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.9 mmt -128.28 -38.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.0 m -105.59 -7.45 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' CYS . 7.3 m-85 52.89 34.78 17.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 42' ' ' PRO . 27.8 m -96.74 115.51 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -40.07 121.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.557 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.1 mt -82.3 87.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 -33.62 24.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -118.08 133.23 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.77 81.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -67.21 153.24 44.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CE ' ' CE2' ' A' ' 73' ' ' PHE . 20.6 mtpp -111.35 115.96 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.464 HD12 ' HG2' ' A' ' 74' ' ' MET . 13.4 pt -93.88 -41.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.508 ' CE2' ' CE ' ' A' ' 71' ' ' LYS . 27.0 m-85 49.85 50.93 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.464 ' HG2' HD12 ' A' ' 72' ' ' ILE . 17.2 mmt -39.67 -55.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p -111.95 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -173.25 177.91 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.61 -157.73 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -165.54 151.41 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.357 . . . . 0.0 110.872 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -123.62 160.44 27.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.64 51.39 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.543 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -133.96 107.24 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -114.32 41.02 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -81.38 83.34 6.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.76 99.53 5.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -144.13 151.22 39.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CG2' ' HG3' ' A' ' 18' ' ' GLN . 54.1 mt -89.93 153.96 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 13' ' ' ILE . 1.4 t -99.91 152.97 19.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.6 t -48.84 -35.04 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -56.12 -52.86 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 11.5 tm-20 -70.83 -56.61 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 28.4 mt-30 -43.4 -62.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.9 mp -51.17 -45.4 61.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -54.41 -15.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 21' ' ' ARG . 53.9 mtp180 -90.01 -51.13 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.49 -52.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' LEU . 34.0 mt-30 -48.81 -48.85 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.526 ' HA ' HD11 ' A' ' 27' ' ' LEU . 5.2 pt-20 -51.37 -26.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -86.08 16.31 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 36' ' ' ILE . 67.2 mttt -122.77 -58.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -58.38 -178.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.768 ' N ' HG23 ' A' ' 36' ' ' ILE . 17.4 t -44.65 158.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -121.86 -28.97 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.956 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -67.3 -56.78 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -98.43 -37.65 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.7 mtp 59.49 43.71 15.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.74 -43.23 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -109.31 166.21 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -87.94 128.64 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.782 HG22 ' O ' ' A' ' 48' ' ' THR . 2.1 pp -54.85 126.54 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.29 16.72 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.686 HD13 ' HA ' ' A' ' 71' ' ' LYS . 34.0 mm -146.74 149.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.5 m -122.88 177.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.1 m-85 -110.7 156.04 21.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 69.0 t -132.98 139.45 34.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.77 -47.5 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.32 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.4 p -46.6 116.25 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.25 101.86 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -131.32 110.7 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.1 47.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 3.1 m -89.45 10.13 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.956 HG22 HD13 ' A' ' 30' ' ' ILE . 52.9 p -141.32 161.33 38.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -102.92 165.96 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' CYS . 32.0 mttm -36.2 -44.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.31 -67.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 55' ' ' ALA . 87.8 m -51.56 -60.92 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -37.03 -36.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.046 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -81.57 -43.69 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -58.4 -46.3 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.9 m -68.19 115.57 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.14 -38.37 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.66 ' HZ2' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -147.75 152.83 38.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.9 t -33.66 117.72 0.48 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 7.73 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.1 mmm -128.55 -38.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.3 m -105.66 -10.06 17.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 56.26 32.46 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.7 m -102.23 105.54 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.66 HG22 ' HZ2' ' A' ' 58' ' ' LYS . 47.0 t -42.35 124.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.7 mp -69.92 93.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -84.96 12.98 6.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -169.31 122.14 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -97.0 89.97 5.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.764 ' HB3' HG22 ' A' ' 39' ' ' VAL . 18.1 tp60 -85.85 125.44 33.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.686 ' HA ' HD13 ' A' ' 38' ' ' ILE . 20.3 ttmt -88.16 137.51 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 36' ' ' ILE . 30.5 pt -105.71 164.19 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -134.28 45.56 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.2 mmt -38.37 -52.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.838 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -128.12 -61.5 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -168.11 160.42 11.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.26 89.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -163.8 114.51 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -121.4 156.74 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 95.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.0 t -156.06 129.8 8.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -159.64 149.9 18.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.406 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -143.65 132.31 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 10' ' ' GLN . 25.0 mmmt -149.75 109.18 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.99 -177.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 53.8 mt -76.84 152.36 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.5 t -87.82 160.84 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.452 ' O ' HD13 ' A' ' 19' ' ' LEU . 13.8 t -51.92 -37.81 54.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.7 -57.33 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 1.7 mp0 -66.96 -59.47 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -39.28 -62.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 HD23 ' NE2' ' A' ' 23' ' ' GLN . 8.0 mp -49.11 -51.85 29.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.9 mmm180 -48.39 -16.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 19' ' ' LEU . 75.1 mtp180 -87.5 -59.5 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -76.37 -47.15 24.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.564 ' NE2' HD23 ' A' ' 19' ' ' LEU . 36.1 mt-30 -46.93 -33.66 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' ARG . 6.4 pt-20 -86.18 23.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.2 mt-10 -126.76 -16.54 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -101.22 -50.78 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.74 177.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.631 ' O ' HD22 ' A' ' 27' ' ' LEU . 18.5 t -43.32 163.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -119.11 -37.44 3.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.865 HD13 HG22 ' A' ' 48' ' ' THR . 2.2 mp -62.64 -69.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 30' ' ' ILE . 22.4 p -80.33 -41.36 24.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.0 mtp 63.92 42.26 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.07 -53.92 2.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 49' ' ' CYS . 3.8 ptm85 -109.0 -174.7 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -91.58 161.4 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 46' ' ' LEU . 3.8 pt -84.99 123.1 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.01 20.86 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -147.61 151.44 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -130.99 179.19 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.423 ' CD1' HG12 ' A' ' 66' ' ' ILE . 18.5 m-85 -112.82 157.57 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG13 ' HA ' ' A' ' 42' ' ' PRO . 70.4 t -133.21 139.35 33.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.648 0.737 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.735 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.68 -51.36 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.37 -0.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.9 p -43.37 111.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.45 100.89 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -128.08 99.62 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.753 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.18 46.4 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 61' ' ' MET . 5.3 m -87.59 11.25 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.865 HG22 HD13 ' A' ' 30' ' ' ILE . 61.0 p -142.93 158.98 43.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 25.0 p -97.0 -179.74 4.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -49.24 -44.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.42 -68.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' ALA . 61.6 m -46.96 -59.4 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.43 -38.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -78.13 -45.97 21.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.54 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -65.27 114.11 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.73 -35.11 78.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.1 ptpt -148.24 150.89 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LYS . 24.0 t -37.12 115.37 0.7 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 9.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 47' ' ' VAL . 16.8 mtp -123.3 -43.52 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.3 m -106.99 -4.92 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 54.22 33.19 17.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.938 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -97.32 111.89 23.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.3 t -42.36 120.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG12 ' CD1' ' A' ' 40' ' ' PHE . 10.6 mt -75.71 89.56 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -78.71 -33.05 47.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -119.24 127.77 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -103.39 76.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.66 ' HB3' HG22 ' A' ' 39' ' ' VAL . 56.5 tp60 -62.35 152.23 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.487 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 25.4 mtpt -112.1 124.15 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.5 pt -113.28 156.73 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -134.98 35.4 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.2 ptp -64.69 -37.41 87.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -170.13 160.03 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -126.36 -43.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.35 144.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -147.21 128.9 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -155.65 173.85 16.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.69 160.25 8.35 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t -103.42 173.25 6.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.1 mt -98.15 43.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -121.52 86.56 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -142.52 114.58 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -131.56 146.2 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 14' ' ' SER . 63.3 mt -74.5 156.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' HG22 ' A' ' 13' ' ' ILE . 3.7 t -92.45 151.66 20.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 t -52.75 -31.93 40.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.182 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.29 -54.44 46.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.45 -53.26 20.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 21.0 mt-30 -46.27 -64.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.6 mp -50.5 -45.62 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -51.9 -14.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 21' ' ' ARG . 40.9 mtp-105 -92.52 -50.49 5.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -48.47 7.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' LEU . 37.3 mt-30 -55.09 -28.49 52.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -80.16 7.71 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -115.49 -9.14 12.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' LEU . 49.9 mttm -101.74 -56.54 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -48.94 -178.07 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.662 ' N ' HG23 ' A' ' 36' ' ' ILE . 10.5 t -43.04 168.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -129.06 -30.54 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.599 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -73.74 -65.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -85.92 -41.44 14.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mtp 60.32 46.4 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -118.16 -41.39 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -174.27 2.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -101.58 121.44 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 28' ' ' CYS . 1.3 pp -49.44 121.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' C ' HG12 ' A' ' 72' ' ' ILE . . . -134.98 27.0 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 71' ' ' LYS . 24.3 mm -147.47 152.83 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 46' ' ' LEU . 3.4 m -130.42 178.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 66' ' ' ILE . 18.1 m-85 -109.35 178.28 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.697 HG13 ' HA ' ' A' ' 42' ' ' PRO . 74.1 t -148.13 138.14 12.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.662 0.744 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.697 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -50.09 0.2 Allowed 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.341 -0.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.2 p -41.07 114.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.13 101.46 2.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -130.91 101.38 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.61 49.7 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CE ' ' A' ' 61' ' ' MET . 35.6 m -95.07 7.76 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 30' ' ' ILE . 6.7 p -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.5 p -91.63 158.61 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' CYS . 13.3 ttpt -33.71 -48.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.96 -60.96 2.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' ALA . 90.7 m -59.9 -61.84 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.88 -37.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.77 -43.6 36.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -63.75 -46.4 85.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.2 m -59.82 119.28 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.57 -20.24 60.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' CYS . 13.7 ptpt -160.06 144.13 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' LYS . 20.9 t -34.01 116.72 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.7 9.08 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.429 ' CE ' HG11 ' A' ' 47' ' ' VAL . 43.6 mtm -127.08 -38.31 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.46 -5.23 16.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.6 m-85 52.29 39.66 27.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 65' ' ' VAL . 55.2 m -104.29 109.37 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' THR . 67.1 t -35.6 138.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 40' ' ' PHE . 5.0 mm -77.46 92.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 t -87.69 2.5 50.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 40.4 t80 -166.31 163.07 17.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 66' ' ' ILE . 2.5 mptm? -135.0 79.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -76.37 131.49 39.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.687 ' HA ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -95.47 132.1 40.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.598 HD12 ' HG2' ' A' ' 74' ' ' MET . 34.7 pt -105.29 164.09 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' MET . 44.9 m-85 -129.59 38.4 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.598 ' HG2' HD12 ' A' ' 72' ' ' ILE . 24.3 mmt -33.21 -59.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' MET . 5.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p 45.63 42.23 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -166.17 165.35 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.19 104.67 1.62 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -132.56 99.91 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -168.7 144.2 3.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.813 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.62 111.22 0.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.0 p -157.66 161.55 38.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.945 0.403 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -143.84 117.34 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -163.96 135.08 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -164.85 129.64 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 13' ' ' ILE . 25.2 tt0 -121.66 153.57 37.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 8.6 mt -95.87 142.89 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.095 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 m -85.99 167.83 14.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 t -56.96 -35.01 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.62 -70.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 14.2 tt0 -59.53 -46.54 88.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 29.8 mt-30 -49.95 -63.31 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLN . 5.8 mp -52.26 -39.39 60.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -57.43 -11.65 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.983 ' HG2' HD23 ' A' ' 22' ' ' LEU . 13.9 ptt85 -94.81 -44.89 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.983 HD23 ' HG2' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.19 -50.05 6.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 36.9 mt-30 -54.91 -31.96 60.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.64 3.8 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -110.52 -21.49 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 23' ' ' GLN . 25.2 pttt -100.13 -39.97 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -51.32 -176.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.5 t -44.23 170.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -128.82 -26.58 2.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.856 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -81.77 -68.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 p -79.7 -37.33 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.5 mtt 56.63 45.03 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -115.03 -37.78 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH1' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -120.05 -174.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -103.38 120.17 40.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 46' ' ' LEU . 1.6 pp -42.77 125.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.609 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.87 22.23 3.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.609 HD13 ' O ' ' A' ' 37' ' ' ALA . 33.0 mm -146.24 154.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.681 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.9 m -129.78 177.57 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' HG12 ' A' ' 66' ' ' ILE . 20.1 m-85 -111.38 172.35 6.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG13 ' HA ' ' A' ' 42' ' ' PRO . 72.2 t -142.98 137.82 15.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.8 -50.63 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.353 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.5 p -43.68 116.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.14 99.24 2.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -129.07 100.41 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -84.33 43.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.735 HG23 HG23 ' A' ' 48' ' ' THR . 16.5 m -73.65 -33.19 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.856 HG22 HD13 ' A' ' 30' ' ' ILE . 34.3 p -105.15 150.69 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LYS . 27.5 p -85.49 155.53 21.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' CYS . 4.2 pttt -38.05 -33.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' HG3' ' NH1' ' A' ' 34' ' ' ARG . 2.6 mt-30 -69.82 -58.33 4.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.1 m -65.05 -51.01 63.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -39.02 -47.82 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -61.19 -43.04 99.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.39 77.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 m -68.36 128.42 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.0 m-20 -75.69 -29.5 59.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 66' ' ' ILE . 8.1 ptpp? -147.78 150.78 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.0 t -35.23 121.57 0.61 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 5.19 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.1 mmt -126.53 -39.74 1.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 m -105.94 -6.23 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 53.58 31.32 12.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.6 m -97.25 106.24 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -39.24 128.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG12 ' CD1' ' A' ' 40' ' ' PHE . 4.0 mp -76.05 96.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.4 t -91.11 9.98 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.491 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 38.9 t80 -163.39 126.99 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -103.78 81.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB3' HG22 ' A' ' 39' ' ' VAL . 30.9 tp60 -71.19 146.65 48.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -111.5 116.59 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.586 HD12 ' N ' ' A' ' 73' ' ' PHE . 1.6 pp -109.09 170.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.586 ' N ' HD12 ' A' ' 72' ' ' ILE . 10.0 m-85 -134.96 86.18 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.529 ' HE3' HD13 ' A' ' 72' ' ' ILE . 5.4 mtt -87.25 -49.74 7.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -142.5 130.72 22.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -153.89 138.42 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.12 128.05 4.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.22 153.04 52.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -161.12 161.61 31.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.75 51.73 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t -108.08 41.65 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.68 158.29 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -79.61 147.93 31.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -116.72 39.92 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 13' ' ' ILE . 10.7 tt0 -62.79 152.13 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 54.3 mt -78.14 154.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 13' ' ' ILE . 19.6 t -90.38 153.56 20.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 16' ' ' GLU . 9.8 t -44.59 -43.16 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' N ' HG23 ' A' ' 15' ' ' THR . 17.8 mt-10 -49.45 -57.9 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 1.1 mp0 -65.67 -60.86 2.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -40.39 -62.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.3 mp -50.71 -47.88 58.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -53.34 -14.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -91.4 -46.29 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -50.92 5.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' LEU . 29.6 mt-30 -50.11 -47.46 53.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 6.7 pt-20 -49.05 -33.68 11.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 5.6 mm-40 -85.22 22.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -133.09 -59.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -50.68 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.606 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.6 t -41.45 165.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -120.93 -42.5 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.78 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -60.52 -68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 p -80.07 -34.28 38.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 mtp 62.95 44.26 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -133.52 -60.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 0.8 OUTLIER -71.39 -178.53 2.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.65 141.65 36.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.606 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.8 pt -72.92 114.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -134.85 18.33 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.783 HD11 ' HE2' ' A' ' 50' ' ' LYS . 49.6 mm -142.65 142.07 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 70' ' ' GLN . 4.8 m -119.91 179.29 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.524 ' CD1' HG12 ' A' ' 66' ' ' ILE . 21.3 m-85 -116.22 161.88 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 42' ' ' PRO . 19.8 t -132.94 136.62 27.97 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.73 -55.3 0.14 OUTLIER 'Cis proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.355 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.4 p -40.79 109.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.65 100.95 2.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -125.4 100.68 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.785 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.88 39.51 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.87 16.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD13 ' A' ' 30' ' ' ILE . 58.4 p -139.63 161.74 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 34' ' ' ARG . 31.6 p -108.68 160.46 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.783 ' HE2' HD11 ' A' ' 38' ' ' ILE . 14.2 mmtt -41.24 -41.32 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -62.46 -57.36 11.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ALA . 66.5 m -70.96 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.21 -44.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -67.57 -46.85 71.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -59.21 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -68.51 120.82 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.47 -36.01 65.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -133.22 152.65 51.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.7 t -42.13 115.7 1.59 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.728 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.426 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.77 9.53 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.3 mmt -127.66 -39.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -104.97 -10.52 17.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 58.83 32.73 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' VAL . 47.1 m -98.9 109.73 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' THR . 95.7 t -36.67 117.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 40' ' ' PHE . 13.1 mt -77.95 83.34 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 t -72.58 -31.27 65.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -125.43 135.82 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -115.95 85.65 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 39' ' ' VAL . 2.0 tm0? -70.58 129.38 39.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HE2' ' CZ ' ' A' ' 73' ' ' PHE . 2.4 ttpm? -94.6 116.21 28.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 73' ' ' PHE . 2.1 pp -105.02 173.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' HE2' ' A' ' 71' ' ' LYS . 26.9 m-85 -133.29 82.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.472 ' CE ' ' HG ' ' A' ' 46' ' ' LEU . 6.2 mtt -87.86 -47.47 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.848 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -131.3 94.12 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -96.26 160.02 14.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.9 108.29 1.21 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -115.05 127.32 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -48.25 122.98 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.98 -111.14 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.415 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.2 m -108.8 148.57 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.397 . . . . 0.0 110.852 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tt -124.52 104.75 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -109.95 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -127.67 111.29 13.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -127.79 153.87 46.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 13.2 mt -99.3 138.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.1 m -81.44 174.49 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.418 ' O ' HD13 ' A' ' 19' ' ' LEU . 5.9 t -67.58 -31.57 71.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -57.99 -54.58 45.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 10.9 tt0 -73.25 -55.02 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 34.4 mt-30 -42.09 -48.72 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HG ' ' NE2' ' A' ' 23' ' ' GLN . 3.1 mp -65.64 -48.27 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 1.3 ptt85 -52.9 -14.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 14.6 mtp-105 -87.34 -46.18 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -94.77 -53.04 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 29.8 mt-30 -52.16 -17.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 11.7 pt-20 -83.81 -29.57 27.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.47 2.4 50.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 36' ' ' ILE . 71.7 mttt -106.54 -62.68 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.5 -175.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.686 ' N ' HG23 ' A' ' 36' ' ' ILE . 12.2 t -49.52 166.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 18.5 mtmt -128.44 -23.12 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.689 HD13 HG22 ' A' ' 48' ' ' THR . 3.5 mp -77.18 -65.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.8 p -88.54 -36.52 16.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 mtp 58.76 44.37 17.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -119.74 -37.19 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 28.6 mtt85 -119.39 152.22 37.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.63 125.13 27.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.1 pp -48.32 126.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.17 12.68 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 71' ' ' LYS . 26.7 mm -144.09 149.39 17.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.815 HG12 HD12 ' A' ' 46' ' ' LEU . 3.4 m -116.71 174.43 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 66' ' ' ILE . 15.6 m-85 -109.39 152.06 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 42' ' ' PRO . 87.2 t -128.32 139.13 34.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.712 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.73 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.74 -49.95 0.21 Allowed 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.333 -0.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 18.7 p -49.62 115.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.08 104.56 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -121.88 112.97 18.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.864 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.83 46.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 61' ' ' MET . 32.0 m -110.64 23.59 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.689 HG22 HD13 ' A' ' 30' ' ' ILE . 3.1 p -152.23 139.48 19.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' LYS . 24.4 p -91.59 161.8 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' CYS . 8.3 mtpm? -36.35 -46.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' NE2' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -62.01 -62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 94.4 m -55.46 -63.19 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -37.91 -45.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.26 -38.09 68.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.53 -47.12 87.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG21 ' HD3' ' A' ' 60' ' ' PRO . 35.4 m -82.31 122.7 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.97 -30.49 66.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' CYS . 16.5 ptpt -134.12 142.43 47.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.4 t -35.05 116.63 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.73 4.11 2.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.396 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.502 ' HG3' HG21 ' A' ' 47' ' ' VAL . 35.9 mmm -122.86 -31.12 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -116.84 2.73 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.3 m-85 45.68 26.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 28.5 m -89.37 114.06 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.8 t -38.4 133.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 40' ' ' PHE . 17.7 mt -102.53 104.22 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -107.84 22.58 15.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 41' ' ' VAL . 17.2 t80 -163.45 145.4 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -130.25 92.78 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 71' ' ' LYS . 0.2 OUTLIER -92.56 152.35 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 24.0 ttmt -97.66 151.88 19.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 HG13 ' A' ' 39' ' ' VAL . 2.7 pp -113.71 -178.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 72' ' ' ILE . 60.6 m-85 -157.97 105.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.555 ' HG2' HD13 ' A' ' 72' ' ' ILE . 19.0 mmt -121.77 -35.44 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 -179.835 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -171.75 157.76 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -168.44 171.84 8.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.85 169.08 41.67 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -160.19 157.34 28.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -162.03 162.25 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.62 -140.27 3.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -166.3 133.64 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -93.58 76.11 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -161.05 141.46 11.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -166.22 149.8 7.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -157.46 154.59 28.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 20.9 mt -91.03 145.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 t -86.8 154.02 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.5 t -44.63 -35.18 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -54.1 -59.1 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.6 mm-40 -66.3 -59.72 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -38.89 -63.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 7.3 mp -51.91 -45.33 64.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.8 mmm-85 -55.49 -11.2 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -96.39 -49.98 4.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -85.85 -46.2 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 26' ' ' LYS . 40.2 mt-30 -57.34 -12.57 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -95.69 -31.33 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.94 12.5 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -127.17 -43.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.668 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.68 176.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.635 ' N ' HD22 ' A' ' 27' ' ' LEU . 14.9 t -37.39 155.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt -119.34 -28.99 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.668 HD13 HG22 ' A' ' 48' ' ' THR . 4.2 mp -68.35 -67.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.1 p -89.2 -33.53 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 mtp 57.65 45.92 18.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -124.72 -40.95 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.0 mtp85 -107.19 177.08 4.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -96.7 142.72 28.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.596 HG21 ' O ' ' A' ' 46' ' ' LEU . 4.5 pt -69.98 114.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 20.77 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.883 HG21 ' HE2' ' A' ' 69' ' ' LYS . 29.2 mm -144.71 139.22 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.8 m -116.07 178.36 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 66' ' ' ILE . 31.8 m-85 -114.85 157.09 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 3.6 t -129.79 136.78 29.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.74 -53.1 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.347 -0.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.3 p -42.98 113.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.93 103.22 3.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -129.01 99.34 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.761 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -80.48 44.69 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.06 13.64 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.668 HG22 HD13 ' A' ' 30' ' ' ILE . 44.4 p -138.62 159.56 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 50' ' ' LYS . 31.9 p -105.74 159.27 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HD3' HD11 ' A' ' 38' ' ' ILE . 5.7 mmmm -33.99 -41.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.9 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' ALA . 77.8 m -55.66 -66.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 48' ' ' THR . . . -35.42 -34.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' CYS . 7.5 mm-40 -76.55 -43.56 38.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -68.69 -44.42 74.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.8 m -63.79 120.06 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.24 -30.3 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 66' ' ' ILE . 12.5 ptpt -146.56 145.81 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.8 t -33.91 116.39 0.48 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 8.84 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.3 mtt -125.43 -41.59 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.08 -17.73 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 67.96 27.26 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' VAL . 34.9 m -94.41 101.02 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' THR . 79.0 t -34.19 122.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 58' ' ' LYS . 4.7 mp -57.23 94.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -75.64 -30.07 59.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 49.3 t80 -147.75 131.27 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.883 ' HE2' HG21 ' A' ' 38' ' ' ILE . 6.6 tptm -98.32 97.58 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' HG22 ' A' ' 39' ' ' VAL . 35.1 tp60 -91.45 137.21 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -95.71 143.32 27.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.6 pt -119.46 169.62 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.67 50.24 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 19.6 mmt -38.52 -49.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -173.08 110.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -88.76 42.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 103.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -150.83 171.3 17.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -141.33 155.27 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.05 47.43 1.04 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.714 ' C ' HD22 ' A' ' 9' ' ' LEU . 5.6 t -152.46 119.79 5.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' C ' ' A' ' 8' ' ' SER . 3.8 mm? -126.26 148.85 49.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -154.76 131.46 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -159.65 151.15 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -173.94 165.5 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -90.33 140.01 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.1 p -71.4 177.94 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -69.71 -32.44 71.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -57.08 -57.54 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -45.82 -63.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.3 mp -50.72 -45.51 58.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CD ' ' A' ' 24' ' ' GLU . 18.6 mmt85 -52.81 -15.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -88.28 -49.98 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.74 -49.63 6.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' LEU . 32.6 mt-30 -52.46 -41.55 63.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 14.9 pt-20 -57.55 -26.35 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.46 8.06 38.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' LEU . 39.1 mttm -112.9 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -48.6 179.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.619 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.8 t -43.9 168.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -123.94 -38.88 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.569 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.9 mp -63.77 -66.72 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.2 p -80.9 -42.93 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.449 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtp 60.42 45.61 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.71 -40.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -116.81 151.44 36.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -67.87 143.89 55.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.9 140.85 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.56 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.7 11.94 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 24.2 mm -133.13 148.75 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 HD12 ' A' ' 46' ' ' LEU . 2.4 m -116.84 178.32 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 18.3 m-85 -113.0 151.24 30.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.673 HG13 ' HA ' ' A' ' 42' ' ' PRO . 68.8 t -127.84 137.5 30.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.673 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.78 -50.45 0.19 OUTLIER 'Cis proline' 0 C--O 1.231 0.167 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.294 -0.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 17.6 p -49.27 116.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -96.73 106.56 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -123.91 112.01 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.832 HD12 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -75.33 47.73 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.81 14.16 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.542 HG21 ' HZ ' ' A' ' 40' ' ' PHE . 2.1 p -143.87 128.46 18.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.7 p -88.78 169.5 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.7 mtmm -41.94 -46.37 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.83 -65.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' ALA . 92.6 m -56.07 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.91 -40.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 50' ' ' LYS . 35.2 mm-40 -70.11 -42.94 72.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.78 -48.16 83.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.5 m -75.06 121.11 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.64 -33.56 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -132.25 145.33 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -37.77 113.1 0.66 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 8.92 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.6 mtt -123.14 -38.36 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -112.23 -2.1 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.9 m-85 54.35 25.24 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.427 HG21 ' HD2' ' A' ' 42' ' ' PRO . 82.9 m -90.04 110.22 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -38.43 132.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.513 ' CD1' ' CE1' ' A' ' 40' ' ' PHE . 11.6 mt -92.59 95.39 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 t -93.95 18.91 9.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -166.51 152.22 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -129.93 105.53 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -109.08 154.1 22.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 73' ' ' PHE . 11.4 ptpt -120.59 126.77 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.56 HD11 ' HA ' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -82.1 -30.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CZ ' ' HD3' ' A' ' 71' ' ' LYS . 5.0 m-85 60.43 53.78 4.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.3 mtt -46.88 -54.12 10.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.813 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m 58.93 42.19 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 p -124.6 165.91 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.3 107.44 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -159.35 151.26 20.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -153.81 135.4 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.04 98.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -103.68 144.34 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.39 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.76 93.17 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -64.98 126.91 29.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -151.08 130.08 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.05 152.99 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 14' ' ' SER . 48.5 mt -86.76 155.03 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 13' ' ' ILE . 65.8 p -87.39 164.83 16.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -58.35 -35.52 72.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.56 -54.69 42.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -70.01 -54.38 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HA ' ' CD ' ' A' ' 21' ' ' ARG . 29.2 mt-30 -45.13 -61.25 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.0 mp -49.87 -48.17 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -51.71 -15.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 18' ' ' GLN . 39.2 mtp85 -84.5 -54.86 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -85.48 -48.75 8.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' LEU . 33.6 mt-30 -47.53 -52.2 18.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 27' ' ' LEU . 13.5 pt-20 -49.74 -30.75 9.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.53 19.01 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -125.43 -56.52 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -62.61 -175.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.596 ' N ' HD22 ' A' ' 27' ' ' LEU . 10.9 t -43.59 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -120.75 -38.59 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.672 HD13 HG22 ' A' ' 48' ' ' THR . 3.0 mp -67.97 -72.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.5 p -72.17 -41.37 67.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 12.5 mtp 61.6 42.63 10.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -119.31 -51.77 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -109.09 167.22 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.494 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -66.88 158.1 31.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HA ' ' A' ' 28' ' ' CYS . 0.4 OUTLIER -72.45 -79.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' C ' HG12 ' A' ' 38' ' ' ILE . . . 58.06 25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.562 HD11 ' NZ ' ' A' ' 71' ' ' LYS . 14.7 mm -148.37 145.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 70' ' ' GLN . 2.7 m -133.86 177.09 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' HG12 ' A' ' 66' ' ' ILE . 23.8 m-85 -116.51 156.37 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 42' ' ' PRO . 2.4 t -129.35 136.8 29.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.587 0.708 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 41' ' ' VAL . 53.9 Cg_endo -69.81 -53.49 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.35 0.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 15.5 p -41.44 112.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.57 100.39 2.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -122.42 109.88 14.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.32 66.62 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG23 HG23 ' A' ' 48' ' ' THR . 27.3 m -111.36 -28.61 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 30' ' ' ILE . 69.0 p -100.68 153.37 19.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.01 176.36 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HA ' HG13 ' A' ' 38' ' ' ILE . 2.1 ttpm? -48.46 -26.7 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -86.09 -68.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 67.0 m -48.93 -54.2 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -43.58 -44.74 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -66.15 -42.03 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.96 -46.78 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.3 m -74.02 122.4 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.03 -33.03 65.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' CYS . 5.2 ptpp? -141.72 150.02 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LYS . 19.1 t -35.61 114.49 0.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.735 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 54.4 Cg_endo -69.69 10.31 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 mtt -126.08 -39.5 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.1 m -105.93 -14.3 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 67.4 25.9 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 42' ' ' PRO . 23.1 m -91.98 122.37 34.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 58' ' ' LYS . 91.5 t -45.2 125.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.555 HG12 ' CD1' ' A' ' 40' ' ' PHE . 23.3 mt -89.69 86.08 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -82.3 -27.15 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -117.1 133.39 56.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -114.86 70.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.582 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -61.22 155.21 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 24.9 mtpp -125.28 89.27 3.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.482 HD12 ' HG2' ' A' ' 74' ' ' MET . 22.4 pt -59.26 -44.17 91.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.474 ' N ' HG13 ' A' ' 72' ' ' ILE . 7.8 m-85 58.94 45.93 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.482 ' HG2' HD12 ' A' ' 72' ' ' ILE . 16.9 mmt -33.64 -56.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.821 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -62.86 -54.76 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m 55.31 42.16 30.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.62 -131.65 1.45 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 59.98 42.29 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -138.02 152.28 48.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.74 114.63 3.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -79.79 158.76 26.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.36 131.73 55.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -137.15 137.59 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -131.15 126.97 37.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -148.03 154.15 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 4.3 mt -90.05 151.7 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -99.37 161.0 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.4 t -52.57 -33.04 44.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.16 -58.65 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 3.4 tp10 -68.19 -58.24 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -39.39 -61.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' GLN . 6.3 mp -52.76 -48.1 67.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -51.31 -15.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 41.8 mtp85 -86.58 -52.99 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -88.52 -48.02 7.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 27' ' ' LEU . 31.3 mt-30 -51.72 -45.31 63.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.56 1.1 20.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 7.0 mm-40 -105.1 -22.94 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 51.2 pttt -101.24 -44.05 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -49.2 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.691 ' N ' HD22 ' A' ' 27' ' ' LEU . 9.2 t -43.21 170.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HE2' ' CG1' ' A' ' 47' ' ' VAL . 25.4 mtmt -131.51 -34.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HG22 ' A' ' 48' ' ' THR . 2.5 mp -71.75 -64.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 p -87.63 -37.04 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.4 mtp 61.32 45.13 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.59 -52.55 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -107.11 156.94 18.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.93 147.56 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.853 HD13 ' HB2' ' A' ' 46' ' ' LEU . 2.2 pp -78.77 120.89 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 23.32 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -147.68 151.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 70' ' ' GLN . 3.6 m -127.66 178.04 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.496 ' CD1' HG12 ' A' ' 66' ' ' ILE . 26.6 m-85 -111.13 165.05 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG13 ' HA ' ' A' ' 42' ' ' PRO . 71.0 t -136.82 139.08 27.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.726 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.76 -47.13 0.32 Allowed 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.348 -0.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 14.6 p -45.4 115.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.16 104.11 3.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -126.42 102.28 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.853 ' HB2' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -83.63 34.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 HG23 ' A' ' 48' ' ' THR . 26.1 m -83.32 -25.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.876 HG22 HD13 ' A' ' 30' ' ' ILE . 81.8 p -100.74 157.71 16.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.183 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' LYS . 30.0 p -104.73 158.84 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' CYS . 20.1 ttpt -33.85 -49.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -53.94 -65.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' O ' HG22 ' A' ' 56' ' ' VAL . 71.9 m -59.69 -58.53 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.75 -44.82 3.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -70.67 -43.81 68.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.56 86.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.5 m -84.73 122.43 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -86.74 21.17 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -175.26 130.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' TYR . 32.1 t -42.18 113.87 1.29 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.498 ' HG2' ' CE ' ' A' ' 61' ' ' MET . 53.9 Cg_endo -69.8 1.19 4.69 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.569 ' CE ' HD11 ' A' ' 30' ' ' ILE . 1.8 mpt? -105.92 -38.64 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.53 -6.29 13.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 59' ' ' CYS . 8.4 m-85 58.65 24.98 12.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.0 m -94.43 115.19 27.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.8 124.2 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 40' ' ' PHE . 6.9 mt -81.14 90.59 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.1 t -83.55 17.06 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 41' ' ' VAL . 22.9 t80 -167.03 131.88 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -106.3 61.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -48.94 152.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -118.52 131.44 56.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.74 HD12 ' HG2' ' A' ' 74' ' ' MET . 16.5 pt -104.07 -40.71 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 74' ' ' MET . 27.4 m-85 59.11 38.89 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.74 ' HG2' HD12 ' A' ' 72' ' ' ILE . 17.6 mmt -33.77 -50.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -165.02 145.78 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -174.08 171.98 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.36 152.99 24.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -157.56 131.44 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -169.06 140.34 2.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.33 148.06 5.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 m -75.55 114.9 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.43 97.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -115.97 139.21 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.56 130.95 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -146.34 151.47 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' CG2' ' HB2' ' A' ' 17' ' ' GLU . 27.4 mt -75.37 142.21 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 t -80.61 155.77 26.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 16' ' ' GLU . 9.2 t -46.38 -40.88 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 15' ' ' THR . 19.1 mt-10 -50.79 -59.81 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' CG2' ' A' ' 13' ' ' ILE . 3.8 mp0 -64.02 -55.27 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -46.06 -61.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.8 mp -48.49 -53.58 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 27.9 mmt180 -43.93 -20.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' LEU . 54.0 mtm180 -81.67 -59.62 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.482 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -82.96 -46.18 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' LEU . 31.2 mt-30 -53.13 -26.67 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 7.8 pt-20 -93.97 -11.79 30.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.46 18.69 20.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 10.4 pttp -130.9 -30.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -79.68 -178.43 6.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.602 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.4 t -44.12 168.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -128.47 -27.22 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.773 HD13 HG22 ' A' ' 48' ' ' THR . 3.3 mp -76.3 -59.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -94.03 -36.17 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 23.7 mtp 59.03 45.71 14.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 -41.98 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 51' ' ' GLN . 52.3 mtt-85 -118.49 160.73 21.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -77.64 131.47 37.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.002 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.3 pp -57.93 123.92 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.686 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -134.97 22.38 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.527 HD13 ' O ' ' A' ' 37' ' ' ALA . 44.0 mm -142.66 153.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 46' ' ' LEU . 1.4 m -121.58 176.95 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 48' ' ' THR . 20.3 m-85 -116.96 150.68 38.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.74 HG13 ' HA ' ' A' ' 42' ' ' PRO . 55.0 t -127.08 139.05 34.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.74 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.1 Cg_endo -69.74 -48.72 0.26 Allowed 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.373 -0.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' O ' ' O ' ' A' ' 40' ' ' PHE . 17.4 p -51.57 116.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 40' ' ' PHE . . . -97.73 107.84 3.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.453 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -128.09 109.76 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.002 ' HB3' HD13 ' A' ' 36' ' ' ILE . 2.2 mm? -76.29 50.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 61' ' ' MET . 27.9 m -110.3 17.18 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.773 HG22 HD13 ' A' ' 30' ' ' ILE . 1.7 p -147.12 139.46 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' CYS . 32.1 p -90.85 151.57 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -40.54 -33.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 30.8 mt-30 -67.69 -41.64 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' CYS . 66.9 m -82.49 -53.15 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.01 -43.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -64.88 -47.33 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.85 -46.78 89.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.9 m -73.51 114.95 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.85 -36.48 83.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' CYS . 9.1 ptpp? -138.33 151.2 47.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' LYS . 10.7 t -34.75 117.36 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.78 8.52 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.416 ' HG3' HG21 ' A' ' 47' ' ' VAL . 28.7 mmm -128.77 -37.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.0 m -107.59 -7.41 16.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.5 m-85 55.11 30.01 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' VAL . 59.3 m -96.38 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' THR . 88.2 t -36.05 139.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 HD13 ' CE1' ' A' ' 40' ' ' PHE . 15.4 mt -100.62 89.16 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 t -92.83 19.45 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -173.03 124.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -110.64 99.71 8.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -92.79 169.71 10.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HG2' ' CD1' ' A' ' 38' ' ' ILE . 27.9 mtpt -129.9 130.16 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.785 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -82.08 165.62 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' MET . 46.4 m-85 -135.02 46.92 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 73' ' ' PHE . 21.1 mmt -35.65 -58.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.771 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -144.39 165.14 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -158.53 162.21 37.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.68 61.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p -95.48 82.11 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.897 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -164.02 127.66 2.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.59 105.14 0.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -119.54 94.58 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 tp -152.33 112.86 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.2 138.71 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -132.59 121.93 23.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -130.42 175.21 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 6.7 mt -88.09 148.67 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -93.66 154.92 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 16' ' ' GLU . 9.3 t -46.39 -42.19 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' N ' HG23 ' A' ' 15' ' ' THR . 31.0 mt-10 -45.55 -61.29 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 19.7 tt0 -67.17 -58.54 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.83 -63.71 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.619 HD23 ' NE2' ' A' ' 23' ' ' GLN . 8.9 mp -55.47 -41.93 73.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.19 -12.12 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -91.54 -51.54 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -83.37 -49.03 9.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.619 ' NE2' HD23 ' A' ' 19' ' ' LEU . 35.2 mt-30 -49.48 -20.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.02 23.73 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' LEU . 27.5 mt-10 -126.1 -27.53 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' O ' HG12 ' A' ' 36' ' ' ILE . 19.4 pttp -98.24 -47.27 5.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.748 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -44.11 171.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.639 ' O ' HD22 ' A' ' 27' ' ' LEU . 11.8 t -43.46 163.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -120.67 -31.01 4.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.807 HD13 HG22 ' A' ' 48' ' ' THR . 3.1 mp -71.7 -66.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.3 p -85.64 -38.26 18.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 40.8 mtp 61.69 40.49 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.79 -51.74 2.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 9.2 ptm180 -113.64 175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -81.76 149.25 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.932 HD13 ' HB3' ' A' ' 46' ' ' LEU . 2.5 pp -75.2 121.47 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.522 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -134.97 29.11 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.2 mm -147.67 144.44 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.678 HG12 ' CD1' ' A' ' 46' ' ' LEU . 2.0 m -113.56 178.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.591 ' CE2' ' HD2' ' A' ' 60' ' ' PRO . 21.5 m-85 -115.38 154.07 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 42' ' ' PRO . 58.3 t -129.24 137.39 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.65 ' HA ' HG13 ' A' ' 41' ' ' VAL . 54.2 Cg_endo -69.77 -50.91 0.17 OUTLIER 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.339 -0.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 17.0 p -48.57 116.91 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.19 105.46 3.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -125.82 113.16 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.932 ' HB3' HD13 ' A' ' 36' ' ' ILE . 1.1 mm? -84.24 67.17 9.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.7 m -119.84 1.58 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.807 HG22 HD13 ' A' ' 30' ' ' ILE . 3.0 p -131.4 152.11 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.92 -175.01 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -60.13 -43.46 95.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.484 ' NE2' ' HD3' ' A' ' 34' ' ' ARG . 2.7 mp0 -65.78 -62.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' ALA . 85.1 m -54.7 -57.94 9.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -35.96 -46.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.89 -42.42 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.74 -51.28 69.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 56' ' ' VAL . 35.8 m -67.84 120.97 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 15.8 ptpt -137.77 144.04 41.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' TYR . 11.0 t -34.87 118.91 0.57 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.591 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.75 4.37 2.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.9 mtm -121.9 -37.99 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.8 m -111.68 0.91 16.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' CYS . 3.8 m-85 47.72 30.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 47.6 m -89.35 114.26 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.1 t -39.57 115.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 40' ' ' PHE . 19.8 mt -85.07 94.65 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.9 t -95.81 19.7 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -164.58 156.64 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -133.51 88.35 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.693 ' NE2' ' H ' ' A' ' 71' ' ' LYS . 38.1 tp60 -88.41 158.06 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.693 ' H ' ' NE2' ' A' ' 70' ' ' GLN . 14.5 mtpt -120.42 143.61 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.523 HD13 ' H ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -93.02 160.17 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' MET . 30.0 m-85 -128.71 42.99 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' PHE . 8.3 mmt -35.01 -45.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.791 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -121.89 142.09 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -171.51 153.41 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 158.72 9.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -168.88 120.02 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -151.76 177.57 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.45 150.74 5.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 m -81.49 136.88 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.3 mt -124.77 104.22 8.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -89.07 120.42 30.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -106.18 113.25 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -152.25 152.5 32.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 17' ' ' GLU . 10.6 mt -91.98 153.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.5 p -107.26 149.99 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 19' ' ' LEU . 11.5 t -43.12 -32.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.33 -57.51 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB3' ' CG2' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.19 -52.34 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 36.1 mt-30 -46.22 -61.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' CD ' ' A' ' 23' ' ' GLN . 5.6 mp -50.44 -47.64 56.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -50.71 -15.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 15.9 mtp-105 -86.81 -64.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.31 -45.56 66.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' CD ' ' HB3' ' A' ' 19' ' ' LEU . 38.3 mt-30 -47.58 -32.54 5.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 21' ' ' ARG . 4.3 pt-20 -91.42 30.5 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.02 -32.38 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 36' ' ' ILE . 8.6 pttm -96.11 -43.47 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.847 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.4 172.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.547 ' N ' HD22 ' A' ' 27' ' ' LEU . 11.0 t -41.07 145.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -101.79 -33.15 9.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.72 HD13 HG22 ' A' ' 48' ' ' THR . 3.6 mp -68.39 -77.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' N ' HG22 ' A' ' 30' ' ' ILE . 14.4 p -74.24 -30.33 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 26.9 mtp 56.38 43.77 25.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.29 -51.98 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -95.42 168.43 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -86.1 142.54 28.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 pp -77.31 119.58 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' LYS . . . -134.97 23.43 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.636 HD11 ' NZ ' ' A' ' 50' ' ' LYS . 24.1 mm -143.23 146.94 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 46' ' ' LEU . 1.3 m -123.99 179.09 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.682 ' CE1' HD13 ' A' ' 66' ' ' ILE . 21.6 m-85 -118.97 154.48 32.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.784 HG13 ' HA ' ' A' ' 42' ' ' PRO . 54.3 t -130.16 140.32 38.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.784 ' HA ' HG13 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -51.62 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.301 -0.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 43' ' ' CYS . 19.7 p -42.01 107.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.5 102.49 2.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -130.12 96.91 4.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.702 ' H ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -79.27 45.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' HA ' ' CE ' ' A' ' 29' ' ' LYS . 32.1 m -98.51 26.09 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.72 HG22 HD13 ' A' ' 30' ' ' ILE . 40.9 p -146.61 146.98 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' LYS . 29.1 p -98.54 158.23 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.636 ' NZ ' HD11 ' A' ' 38' ' ' ILE . 39.6 mmtt -34.27 -48.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -57.43 -60.58 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ALA . 74.9 m -64.38 -61.12 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' CYS . . . -36.8 -39.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -76.67 -44.28 34.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' CYS . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 56' ' ' VAL . 29.1 m -71.63 116.48 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -67.07 -34.93 78.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' CYS . 12.6 ptpt -137.0 150.46 48.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' TYR . 12.0 t -36.06 115.96 0.62 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.506 ' HD2' ' CE2' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 6.46 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.218 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.3 mmt -123.6 -37.14 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.74 -1.92 16.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 59' ' ' CYS . 5.3 m-85 52.01 26.84 3.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.0 m -92.96 113.44 25.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.7 t -40.86 125.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.748 HG22 ' HD2' ' A' ' 69' ' ' LYS . 12.9 mt -90.01 90.84 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.8 t -81.08 -24.28 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -124.36 130.02 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.748 ' HD2' HG22 ' A' ' 66' ' ' ILE . 1.6 mptt -113.86 97.88 6.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -91.86 144.47 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HD2' ' CD1' ' A' ' 73' ' ' PHE . 3.3 ttmm -101.48 127.27 48.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.603 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.5 pt -107.95 -39.53 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.644 ' CD1' ' HD2' ' A' ' 71' ' ' LYS . 0.4 OUTLIER 26.71 54.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.488 ' C ' ' O ' ' A' ' 73' ' ' PHE . 21.5 mmt -30.86 -55.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.813 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_