data_2e5q_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 2e5q _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 ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.392 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -161.64 162.88 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLN . 10.9 mt-10 -66.43 173.92 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.68 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -105.46 134.63 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 18.6 m-85 -84.85 116.1 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG12 ' NE2' ' A' ' 12' ' ' GLN . 7.6 m -134.61 168.24 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -104.44 143.99 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.4 m -113.98 128.65 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.25 106.15 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.462 ' CD1' HG22 ' A' ' 19' ' ' THR . 44.7 t-105 -77.49 162.13 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.462 HG22 ' CD1' ' A' ' 18' ' ' TRP . 8.8 t -48.66 -44.0 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.69 20.4 10.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.94 154.27 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 50.6 m-85 -111.44 98.1 7.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 91.7 m-85 -94.19 134.69 36.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.7 tp -75.96 150.01 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.34 155.68 27.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 73.3 tttt -104.8 113.65 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.28 98.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -78.77 -41.85 29.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -132.6 163.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -134.39 116.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.27 140.2 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' SER . 82.6 p -102.08 -39.49 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' SER . 71.2 m -37.18 -59.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.6 mmtp -110.87 35.66 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 78.7 mt-30 34.53 43.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.7 p -111.83 176.94 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 m -158.02 131.12 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 47' ' ' LYS . 13.8 tp -73.31 91.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.26 128.83 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 m -91.55 99.38 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.18 167.82 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.82 -10.99 15.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.86 34.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 40.93 30.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -116.24 157.04 25.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HD2' ' CD2' ' A' ' 39' ' ' LEU . 6.7 mtmp? -118.22 123.14 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -124.51 125.81 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -71.29 95.26 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.9 136.69 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.01 143.39 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 16.7 m0 -47.49 -25.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 3.2 ptmt -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 62.2 m-20 -98.76 27.78 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.3 mt -122.62 105.52 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -90.59 153.18 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -87.03 97.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -160.15 162.67 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.86 172.36 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 42.43 24.87 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.98 135.09 44.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -85.31 122.32 29.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 12' ' ' GLN . 16.3 m -139.49 174.51 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.51 141.47 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.7 125.48 54.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -81.48 102.97 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.422 ' NE1' HG22 ' A' ' 19' ' ' THR . 31.0 t-105 -71.95 165.68 23.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.4 t -51.97 -36.83 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -72.48 -18.28 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.02 17.15 28.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 22' ' ' LEU . 4.5 mm? -88.76 146.72 24.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -104.17 107.5 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -104.27 136.63 43.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.91 152.35 38.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.15 152.97 21.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -102.97 113.29 26.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLY . 75.4 mt -56.14 99.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.22 -36.55 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -140.25 153.95 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -124.54 117.76 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -111.7 141.07 45.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -108.63 -32.14 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -42.3 -47.87 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -118.91 32.79 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LYS . 18.5 mp0 37.56 47.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -123.11 179.0 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 m -158.29 130.89 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD12 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -72.64 90.96 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -92.35 126.45 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.5 m -87.82 99.84 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.76 171.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.38 -13.95 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' SER . 20.1 m-20 -92.77 36.1 1.03 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 41.0 26.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ASP . 63.1 p -109.94 158.61 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -120.39 124.0 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -125.69 124.99 42.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.488 ' CE2' HD12 ' A' ' 39' ' ' LEU . 43.4 m95 -70.54 94.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -98.41 148.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.8 mt -81.83 138.53 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -42.85 -30.03 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -37.81 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LEU . 83.2 m-20 -87.49 26.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.3 mt -123.05 101.84 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -57.75 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 t -159.06 162.44 36.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -65.58 172.1 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.33 28.33 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.76 135.31 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.52 115.38 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 m -130.24 173.09 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 24' ' ' TYR . 28.7 mt -111.71 150.33 30.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -122.94 124.74 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -80.28 110.53 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CD1' HG23 ' A' ' 19' ' ' THR . 32.2 t-105 -78.69 170.49 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 18' ' ' TRP . 8.8 t -60.74 -16.76 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -95.48 3.3 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.6 3.56 90.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.5 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -89.47 132.43 35.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' C ' HD23 ' A' ' 15' ' ' LEU . 92.5 m-85 -120.79 134.21 55.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.65 152.33 39.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.14 145.09 9.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -94.52 112.95 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.44 100.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -83.87 -33.28 24.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 40.4 ttt180 -137.4 160.93 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.19 110.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -92.64 141.75 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -112.24 -37.29 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.3 m -44.87 -50.35 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.03 27.08 9.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 80.3 mt-30 44.1 37.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -105.33 -179.59 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.2 130.24 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.0 tp -73.7 93.64 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -93.14 123.08 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 m -84.49 100.57 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.36 153.93 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.66 -16.04 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.18 27.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 48.78 37.89 10.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 p -127.65 156.79 41.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -117.99 122.82 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -123.5 124.35 42.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.53 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 21.9 m95 -70.27 97.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.81 141.37 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -78.99 142.14 36.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 28.8 m0 -46.57 -33.56 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -64.29 -35.13 79.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.06 25.04 6.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.0 mt -121.33 114.42 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -97.17 147.17 24.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.425 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 m170 -82.55 99.1 9.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 14' ' ' VAL . 13.4 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -161.0 162.79 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -64.96 172.11 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.19 28.26 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.431 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -105.79 136.0 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -86.24 120.9 28.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG13 ' NE2' ' A' ' 12' ' ' GLN . 15.0 m -140.42 172.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.66 147.54 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.88 121.05 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -78.86 104.95 9.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CD1' HG22 ' A' ' 19' ' ' THR . 60.7 t-105 -78.58 167.52 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.524 HG22 ' CD1' ' A' ' 18' ' ' TRP . 13.4 t -58.88 -21.25 56.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.4 m-20 -91.08 6.71 43.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.55 16.65 80.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 20' ' ' ASP . 2.2 mm? -91.68 141.83 28.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -103.65 114.53 28.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 94.1 m-85 -108.5 131.17 55.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -75.43 138.83 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.19 153.53 24.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.49 113.87 25.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.3 mt -56.55 98.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -42.09 35.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -132.42 162.39 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.77 111.05 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -93.61 144.58 25.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -117.09 -40.81 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -43.61 -48.24 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 13.4 mptt -116.99 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 44.7 mt-30 36.71 45.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -116.03 173.31 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.8 m -151.18 130.98 13.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 HD13 ' CE2' ' A' ' 49' ' ' TRP . 12.8 tp -74.2 96.55 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.19 128.11 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 m -89.36 98.68 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.78 161.12 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -58.65 -11.8 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -92.05 32.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 43.54 33.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -119.33 157.58 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -121.65 122.85 40.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.67 137.93 54.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.494 ' CE2' HD13 ' A' ' 39' ' ' LEU . 14.3 m95 -81.08 96.9 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.19 140.79 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.69 144.07 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.456 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 22.7 m0 -47.87 -32.79 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.92 -32.28 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -98.12 32.29 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.26 113.05 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -93.75 149.02 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -83.53 94.87 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -160.91 163.96 31.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -67.74 172.89 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' HA2' ' CE ' ' A' ' 27' ' ' LYS . . . 39.55 30.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -106.41 135.24 48.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.4 m-30 -82.2 116.51 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG11 ' NE2' ' A' ' 12' ' ' GLN . 12.7 m -134.4 172.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.91 148.25 38.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.02 131.57 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -80.46 108.71 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CD1' HG22 ' A' ' 19' ' ' THR . 28.8 t-105 -78.78 170.12 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 HG22 ' CD1' ' A' ' 18' ' ' TRP . 3.9 t -64.96 -17.19 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -95.56 6.95 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.88 18.42 77.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.07 160.23 15.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.77 107.51 12.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -99.42 133.97 42.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' A' ' 13' ' ' TYR . 17.5 tp -73.64 148.84 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -162.32 145.06 10.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HA2' ' A' ' 11' ' ' GLY . 65.4 tttt -96.14 110.62 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.3 mt -54.99 98.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -39.69 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -130.62 147.12 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -119.94 109.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 2.3 t -97.08 140.92 30.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -103.61 -43.14 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -40.42 -62.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' GLN . 4.0 mmpt? -100.08 31.65 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 49.2 mt-30 34.38 37.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 81.1 p -107.91 178.36 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 m -155.64 131.07 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.41 93.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.5 t -91.43 128.76 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 m -90.9 102.52 15.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.54 155.03 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.4 -16.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.1 31.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 44.73 36.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -121.81 153.94 37.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -118.37 123.28 44.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -127.81 124.79 38.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.0 m95 -69.17 104.51 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.4 140.05 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.3 mt -75.61 139.04 41.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.563 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 22.3 m0 -44.16 -31.85 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.4 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' LEU . 23.3 m-20 -92.3 29.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.0 mt -124.28 104.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -87.9 125.17 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.64 104.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -161.65 163.04 30.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.76 172.52 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.13 30.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.7 134.74 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.32 120.77 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG13 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -142.9 166.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 24' ' ' TYR . 37.5 mt -100.06 148.04 24.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 96.0 m -120.19 132.94 55.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.93 104.22 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -72.21 170.41 14.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 t -60.37 -19.36 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CB ' HD21 ' A' ' 22' ' ' LEU . 2.7 m-20 -93.57 2.47 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.21 16.22 76.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD21 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -90.48 145.16 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -103.26 114.72 29.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 99.4 m-85 -109.45 134.71 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp -78.41 128.02 33.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.58 162.85 27.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -104.58 114.43 28.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLY . 73.1 mt -59.33 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.96 -36.75 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 42.3 ttt180 -134.95 160.44 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -127.68 105.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -88.74 142.97 27.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -112.99 -41.84 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 m -39.24 -55.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -113.35 36.54 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' LYS . 53.0 mt-30 36.02 45.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -153.21 131.07 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -73.47 95.3 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.59 125.62 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 m -86.3 105.25 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.4 m-85 -68.86 161.98 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.47 -15.2 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.82 33.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 42.84 33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 p -119.5 160.52 22.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -124.04 126.86 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -129.66 123.26 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 49.6 m95 -68.42 95.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.54 142.49 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.78 141.86 44.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -45.9 -33.88 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -67.71 -35.62 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -77.71 -21.92 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.7 mt -82.05 132.37 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -119.36 121.91 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -51.52 110.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.867 0.365 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 t -159.59 167.08 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLY . 11.1 mt-10 -69.22 173.21 5.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.32 31.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.72 134.56 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 7.1 m-85 -85.33 114.26 22.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 12' ' ' GLN . 15.9 m -130.28 174.93 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.35 149.48 30.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -117.71 132.91 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -82.31 109.21 16.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.458 ' NE1' HG22 ' A' ' 19' ' ' THR . 30.6 t-105 -74.0 168.26 19.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.458 HG22 ' NE1' ' A' ' 18' ' ' TRP . 14.7 t -53.2 -43.38 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 5.1 t70 -73.33 -22.22 60.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.78 22.05 6.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 20' ' ' ASP . 3.9 mm? -83.61 161.82 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -120.48 102.02 8.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -97.44 133.49 41.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.99 145.33 38.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.5 149.54 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.2 ttpt -97.1 116.77 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.59 99.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -77.04 -41.63 41.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -135.12 162.4 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.2 t -131.06 114.72 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -102.44 140.58 36.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.0 p -106.29 -26.89 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 m -49.53 -53.91 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.9 mttt -116.26 37.39 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 50.2 mt-30 35.75 39.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -109.29 177.5 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.3 m -157.36 132.11 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -74.56 91.87 2.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -90.45 135.07 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.2 m -97.59 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.18 161.58 26.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -56.71 -16.49 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.14 31.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 42.99 37.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -122.53 156.76 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -118.67 123.36 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.8 123.37 40.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.451 ' CE2' HD11 ' A' ' 39' ' ' LEU . 29.6 m95 -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 t -108.25 149.74 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ASP . 13.0 mt -85.6 140.84 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 21.6 m0 -45.64 -25.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.9 ptmt -74.03 -36.72 64.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 71.0 m-20 -92.71 28.22 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.2 mt -124.92 108.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -90.92 113.31 25.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -45.77 120.58 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 28' ' ' ILE . 15.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -159.35 163.66 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.15 171.46 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.18 29.57 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.454 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -106.33 135.05 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 4.6 m-85 -84.61 118.86 24.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG11 ' NE2' ' A' ' 12' ' ' GLN . 11.2 m -137.39 170.34 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 23' ' ' TYR . 13.6 mt -106.19 140.68 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -110.84 132.2 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -85.17 110.14 18.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -79.79 168.28 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -59.64 -25.95 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -88.8 5.57 42.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 30.05 56.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.62 152.86 19.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' C ' HD23 ' A' ' 15' ' ' LEU . 60.4 m-85 -113.21 107.43 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.5 m-85 -103.15 129.02 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.31 134.47 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.18 156.83 26.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 tttt -102.15 111.62 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.426 ' CD1' HD22 ' A' ' 8' ' ' LEU . 70.9 mt -54.35 100.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -81.02 -39.91 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 48.1 ttt85 -134.68 156.99 47.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 122.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 p -113.57 141.04 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.7 p -106.47 -40.18 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 m -46.43 -44.81 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . 31.3 mtmt -111.31 23.87 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 46.2 mt-30 37.77 33.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -109.19 -177.74 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m -158.99 130.54 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 30' ' ' ARG . 13.9 tp -73.58 90.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.55 129.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -91.51 107.7 19.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -70.44 161.77 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -55.06 -15.74 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.58 36.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.0 36.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.4 p -117.27 149.35 40.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -115.05 120.46 39.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -124.49 125.16 43.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -68.59 98.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 51' ' ' LEU . 39.5 t -103.98 138.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' HG12 ' A' ' 50' ' ' VAL . 10.6 mt -76.71 139.97 40.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 30.6 m0 -45.43 -28.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -36.41 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -95.18 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 50.1 mt -130.13 105.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -93.14 119.03 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -50.67 136.75 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -161.75 163.8 29.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.76 168.82 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.0 23.74 1.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -100.58 134.76 43.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -85.65 114.17 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.465 HG12 ' NE2' ' A' ' 12' ' ' GLN . 6.6 m -129.34 176.22 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.17 150.22 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.03 130.11 53.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.66 113.68 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CD1' HG23 ' A' ' 19' ' ' THR . 59.3 t-105 -86.82 168.8 13.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.532 HG23 ' CD1' ' A' ' 18' ' ' TRP . 3.8 t -61.87 -12.25 16.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -97.39 11.48 36.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.55 68.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.33 150.47 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.75 121.07 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -108.97 129.32 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 54.9 tp -74.52 153.37 39.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.45 155.75 26.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -101.45 113.76 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.726 0.298 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.96 98.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -79.15 -41.79 27.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -132.68 160.24 37.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -133.62 115.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -112.94 140.72 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -103.61 -33.98 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -52.94 -37.45 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -113.32 23.18 13.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . 50.0 mt-30 35.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' LYS . 3.0 m -120.55 174.56 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.1 m -147.4 135.72 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.32 92.19 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.3 120.91 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -82.94 98.47 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.92 156.4 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 9.9 mp0 -56.89 -14.51 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.25 21.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 53.58 40.16 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 83.4 p -129.84 155.56 45.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -115.61 121.61 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 11.2 m-85 -124.39 127.67 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -73.52 97.53 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.83 141.56 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' ASP . 11.8 mt -77.04 138.42 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -43.94 -28.95 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -71.51 -37.83 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.9 m-20 -90.52 27.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -123.88 115.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.25 132.46 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -65.82 88.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -167.22 164.97 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLY . 11.9 mt-10 -66.16 172.12 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.22 34.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.99 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -85.22 111.56 19.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -124.56 -179.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -121.41 144.01 48.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.88 133.78 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -85.34 108.68 17.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -82.15 165.47 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -57.87 -26.36 62.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' CB ' HD23 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -88.04 6.86 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.95 16.89 80.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -84.64 156.97 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -119.27 100.44 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 72.6 m-85 -90.39 126.6 35.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -77.48 135.8 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.66 154.68 25.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -99.85 126.85 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.71 98.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -33.0 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -140.81 156.8 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.18 116.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.518 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -104.66 141.34 36.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 95.2 p -103.35 -39.55 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.0 m -37.3 -56.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 26.8 mtmt -114.71 33.93 5.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 29.1 mp0 35.99 45.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.2 p -115.1 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.1 m -150.38 134.54 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.8 tp -76.03 92.4 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.47 134.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.1 103.7 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -66.88 156.76 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.9 -17.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.81 31.09 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 44.62 34.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.1 p -116.43 149.18 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -114.51 120.68 41.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.0 m-85 -124.61 122.62 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.4 m95 -67.57 99.56 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 t -110.13 138.62 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.403 ' CB ' ' HG2' ' A' ' 53' ' ' LYS . 6.7 mt -75.83 141.54 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 11.2 m0 -46.09 -28.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG2' ' CB ' ' A' ' 51' ' ' LEU . 7.9 ptpp? -63.79 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.38 26.82 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -122.78 110.1 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -92.27 136.27 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -74.31 86.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -159.21 163.72 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.44 168.2 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.41 26.79 1.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -103.42 135.14 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.934 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 16.3 m-85 -86.61 116.31 24.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 HG11 ' NE2' ' A' ' 12' ' ' GLN . 14.8 m -130.07 175.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 mt -115.47 151.02 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.1 t -119.88 131.25 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -79.55 128.15 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.454 ' NE1' HG23 ' A' ' 19' ' ' THR . 53.5 t-105 -103.46 166.31 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' NE1' ' A' ' 18' ' ' TRP . 8.9 t -57.92 -23.06 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -92.04 10.7 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.45 13.94 77.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.59 161.86 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.27 107.18 11.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.84 126.44 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 54.9 tp -73.94 156.49 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.55 154.04 22.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.4 tttt -102.92 115.28 30.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.16 99.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -81.31 -41.15 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -130.93 160.29 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -133.35 118.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 p -113.98 140.98 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -106.56 -29.06 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -36.33 71.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.799 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' SER . 23.0 mmtm -118.49 23.83 11.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.5 mt-30 36.86 31.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' LYS . 2.1 m -113.14 174.5 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.8 m -151.58 132.24 13.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 49' ' ' TRP . 14.7 tp -72.92 90.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.46 118.95 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 m -82.93 98.41 9.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.38 158.22 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 12.5 mp0 -58.74 -13.82 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.84 29.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.12 44.36 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 32.6 p -131.71 152.82 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -116.38 121.86 43.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.1 m-85 -125.92 122.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CE2' HD12 ' A' ' 39' ' ' LEU . 39.0 m95 -70.11 94.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.47 143.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -80.11 144.64 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -37.49 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.93 33.07 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -125.19 107.29 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -94.91 121.88 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -59.03 112.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 t -157.86 166.93 31.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -68.86 170.55 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 39.94 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.86 134.82 50.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -83.65 118.71 24.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 ' NE2' ' A' ' 12' ' ' GLN . 6.7 m -137.66 171.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -106.52 143.94 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.9 130.42 56.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -84.12 112.22 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.54 ' CD1' HG22 ' A' ' 19' ' ' THR . 36.5 t-105 -77.6 166.08 23.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.54 HG22 ' CD1' ' A' ' 18' ' ' TRP . 9.1 t -48.8 -40.92 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' CD2' ' A' ' 22' ' ' LEU . 8.4 t70 -73.76 -20.12 60.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 23.63 7.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 4.4 mm? -88.89 147.39 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -106.25 107.32 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.4 133.96 49.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.2 tp -73.95 140.52 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.3 159.4 29.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.72 114.93 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' GLY . 68.9 mt -59.55 98.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -81.19 -41.51 22.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -131.58 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -117.35 112.06 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -100.72 141.74 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -109.12 -37.19 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -40.42 -53.74 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' GLN . 72.5 mttt -115.26 35.83 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 28.7 mt-30 35.89 42.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.8 p -112.93 171.03 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.0 m -150.66 131.95 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.76 90.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.66 129.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m -93.27 105.03 17.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.87 155.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -50.74 -17.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -90.17 33.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m120 42.96 31.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 19.2 p -112.36 147.32 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -115.28 119.07 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.2 m-85 -123.35 123.64 41.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 28.9 m95 -68.76 98.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.42 142.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.11 141.1 37.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 20.1 m0 -44.74 -32.27 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.92 26.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.79 103.23 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.57 154.0 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -89.16 109.58 20.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -159.28 164.98 34.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.36 169.72 8.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.67 31.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.86 134.59 50.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 23.9 m-85 -85.88 121.44 28.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.407 HG13 ' NE2' ' A' ' 12' ' ' GLN . 12.9 m -138.52 168.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -108.43 141.84 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.6 t -111.13 132.96 53.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -81.49 106.34 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.535 ' CD1' HG23 ' A' ' 19' ' ' THR . 31.8 t-105 -71.96 170.52 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' CD1' ' A' ' 18' ' ' TRP . 7.1 t -57.58 -33.66 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.06 -10.39 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.56 16.29 37.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.99 160.32 21.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -115.88 111.54 20.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -105.27 131.78 52.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.65 143.64 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.77 147.92 15.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 61.4 tttt -97.39 113.34 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.27 98.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -78.42 -42.28 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -134.33 159.37 41.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.4 t -123.59 110.64 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -95.85 140.51 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.2 p -109.74 -40.83 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 m -39.56 -50.88 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 2.4 mppt? -116.83 36.83 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' LYS . 41.8 mt-30 34.75 42.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.7 m -112.95 175.84 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.2 m -153.67 129.56 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 15.0 tp -72.44 92.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.71 134.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 m -95.32 101.97 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.6 166.56 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.8 -15.47 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -90.87 33.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 40.92 29.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 58.1 p -113.99 156.19 24.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.96 121.77 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 12.4 m-85 -122.55 124.09 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 25.2 m95 -69.58 97.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 51' ' ' LEU . 21.8 t -105.44 143.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 50' ' ' VAL . 5.9 mt -79.34 138.63 37.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -44.04 -30.84 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.5 ptmt -70.94 -37.82 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-20 -90.68 33.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.6 mt -129.53 109.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.4 120.61 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.37 108.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 28' ' ' ILE . 16.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -162.17 165.39 27.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.34 168.01 15.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.31 27.11 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -103.68 134.63 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 20.6 m-85 -84.77 116.49 23.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG11 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -135.03 168.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -109.49 145.28 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -114.26 129.78 56.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -83.43 109.01 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' NE1' HG22 ' A' ' 19' ' ' THR . 27.6 t-105 -77.67 169.36 18.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.43 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.6 t -57.31 -27.72 62.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.35 -7.83 59.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.04 9.84 63.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.88 145.59 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -104.43 116.61 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 98.4 m-85 -108.56 129.26 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.82 145.41 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.56 152.62 23.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 57.8 tttt -99.57 114.15 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.445 ' CD1' HD22 ' A' ' 8' ' ' LEU . 90.4 mt -56.9 98.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -79.31 -39.43 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -135.64 160.57 38.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.11 112.04 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 t -95.89 143.81 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -112.61 -41.58 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -40.15 -54.0 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLN . 48.4 mmtt -113.37 36.59 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' LYS . 57.6 mt-30 34.77 41.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.0 m -111.56 175.0 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.1 m -151.98 131.62 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 13.3 tp -73.27 96.48 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -97.82 130.31 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -91.93 99.71 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.74 160.35 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.88 -15.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.23 35.04 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 12.5 t-20 42.25 27.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 16.3 p -109.32 151.7 26.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -116.93 122.43 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-85 -125.93 126.75 44.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 33.0 m95 -71.74 97.44 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.47 146.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.56 140.69 34.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 29.1 m0 -46.47 -29.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -95.22 27.41 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.83 105.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -87.04 140.15 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.38 108.58 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.059 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -163.33 163.08 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.43 167.38 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 46.3 27.33 2.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.441 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -104.29 134.81 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 32.0 m-85 -85.89 116.05 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' NE2' ' A' ' 12' ' ' GLN . 15.9 m -131.46 173.74 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 23' ' ' TYR . 14.4 mt -110.55 144.1 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.7 m -113.45 133.21 55.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -85.41 107.49 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.449 ' NE1' HG23 ' A' ' 19' ' ' THR . 36.6 t-105 -76.04 166.53 23.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 HG23 ' NE1' ' A' ' 18' ' ' TRP . 15.4 t -53.25 -40.4 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' N ' HG22 ' A' ' 19' ' ' THR . 7.9 t70 -71.6 -22.07 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.79 14.76 16.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.6 mm? -84.09 149.59 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 50.0 m-85 -107.41 102.52 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.9 m-85 -95.6 130.98 42.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.21 148.32 41.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.46 154.99 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.2 tttt -103.55 114.31 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.705 0.288 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 11' ' ' GLY . 80.4 mt -57.98 98.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -41.15 29.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 69.4 ttt180 -131.59 158.38 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.44 117.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 t -102.18 143.91 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -112.07 -40.15 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -40.58 -53.89 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 19.6 mmtp -114.18 35.94 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 42.1 mt-30 36.23 39.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 m -106.17 177.82 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 m -159.17 131.04 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 49' ' ' TRP . 15.0 tp -72.68 99.16 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.11 118.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -82.88 98.43 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.449 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 2.9 m-85 -59.8 178.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.88 -16.15 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' OD1' ' CB ' ' A' ' 42' ' ' PHE . 17.1 p-10 -91.66 37.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m120 39.66 44.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.3 p -126.75 149.08 49.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.4 mtmp? -113.13 115.99 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.6 m-85 -121.19 123.49 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 61.7 m95 -72.87 98.48 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.74 144.26 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.44 146.51 40.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.6 m0 -50.67 -24.8 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -75.24 -32.77 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.67 27.62 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.0 mt -125.69 100.12 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -51.35 122.82 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 28' ' ' ILE . 14.3 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -156.64 162.99 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.74 169.79 9.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.6 28.06 0.98 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -104.33 134.69 47.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 3.9 m-85 -85.53 113.47 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.404 HG12 ' NE2' ' A' ' 12' ' ' GLN . 10.8 m -127.06 179.09 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 mt -118.11 145.73 44.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -121.0 129.55 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -82.03 115.25 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CD1' HG23 ' A' ' 19' ' ' THR . 45.3 t-105 -86.49 164.23 17.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.492 HG23 ' CD1' ' A' ' 18' ' ' TRP . 8.7 t -51.67 -40.55 60.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -62.6 -22.55 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.06 23.32 9.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.79 159.47 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -112.57 117.6 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.48 132.57 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -76.79 142.87 40.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.78 154.24 25.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.7 ttpt -99.93 116.25 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 8' ' ' LEU . 96.8 mt -57.6 99.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.39 -38.28 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -138.2 145.88 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.9 t -117.48 116.95 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 140.87 39.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' SER . 90.3 p -104.82 -38.87 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' SER . 30.2 m -37.51 -55.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' GLN . 14.4 mttp -114.28 36.05 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 21.9 mp0 34.61 43.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -113.75 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -154.93 131.67 10.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.02 91.67 2.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.3 125.13 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -86.08 101.13 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.74 152.3 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -51.3 -17.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.31 24.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m120 50.78 34.34 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 p -122.92 159.16 28.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -118.95 123.54 44.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -124.54 126.31 45.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.94 100.02 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.61 148.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.63 141.74 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.7 m0 -46.5 -20.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -75.03 -37.8 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.33 28.96 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.6 mt -125.07 109.5 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -94.89 121.62 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -58.57 102.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.04 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 14' ' ' VAL . 8.2 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -158.67 163.03 37.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -65.45 171.38 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.55 31.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.83 134.57 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -84.78 119.31 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 8' ' ' LEU . 16.9 m -137.12 177.34 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -113.66 142.41 46.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m -121.5 122.64 40.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 12.4 ttt180 -80.57 112.21 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.464 ' NE1' HG23 ' A' ' 19' ' ' THR . 39.0 t-105 -81.53 165.26 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.464 HG23 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -52.27 -38.15 57.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -22.88 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.26 8.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.9 mt -119.62 141.33 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE1' ' HG3' ' A' ' 17' ' ' ARG . 63.7 m-85 -93.46 126.51 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 74.8 m-85 -115.75 138.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 64.2 tp -74.72 154.95 38.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 154.17 21.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HE3' ' CA ' ' A' ' 11' ' ' GLY . 58.0 tttt -101.2 113.76 27.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLY . 93.9 mt -57.23 100.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -81.71 -39.23 24.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -134.12 162.53 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.62 112.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 140.42 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -109.12 -30.61 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.5 m -44.49 -48.5 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' GLN . 53.4 mttt -118.86 32.69 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.6 mt-30 38.07 46.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 m -119.52 175.63 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 m -156.35 130.55 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.4 91.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.49 125.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -88.01 99.33 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.35 162.93 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 25' ' ' LEU . 5.5 mp0 -59.55 -18.38 40.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.31 29.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m120 47.58 35.84 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 27.7 p -120.0 149.12 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -115.9 121.79 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -126.31 125.56 42.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -69.51 99.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.73 147.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 9.7 mt -79.45 138.25 37.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -43.92 -32.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -37.72 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . 76.9 m-20 -89.76 29.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.49 103.05 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 1.7 tm0? -90.06 127.99 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.405 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 14.1 m170 -60.85 93.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -157.53 172.46 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.76 170.8 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.93 33.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.4 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.56 134.61 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 12.1 m-85 -85.48 122.18 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.4 HG12 ' NE2' ' A' ' 12' ' ' GLN . 15.4 m -140.13 173.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -108.68 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -112.35 133.09 54.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -86.24 103.17 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CD1' HG21 ' A' ' 19' ' ' THR . 31.6 t-105 -71.69 163.3 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.452 HG21 ' CD1' ' A' ' 18' ' ' TRP . 5.7 t -50.42 -40.0 48.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.76 -18.88 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.28 32.96 5.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -99.22 154.09 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -113.42 99.17 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 87.1 m-85 -99.66 134.51 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.6 141.89 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.37 156.88 27.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 64.7 tttt -102.16 119.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.59 98.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -75.32 -41.91 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -134.46 162.12 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -130.72 117.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -106.38 142.0 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -107.97 -35.94 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -47.36 -44.57 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.8 mttt -119.2 31.87 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' LYS . 36.8 mt-30 34.44 40.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 p -113.55 171.48 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.0 m -149.85 130.64 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.56 91.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.95 137.7 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -99.74 109.87 22.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -74.71 157.27 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.64 -18.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.57 36.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 38.86 37.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.0 p -118.29 149.91 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -116.48 122.2 44.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -125.97 125.22 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -67.8 95.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -103.21 128.9 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.79 141.24 53.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 24.7 m0 -45.96 -32.26 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -63.69 -37.53 87.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.32 31.79 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.43 110.72 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -94.63 138.12 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -75.06 98.44 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -158.15 162.81 37.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.0 169.28 8.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.05 30.5 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.7 135.22 48.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 3.8 m-85 -86.79 112.28 21.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.56 -179.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 24' ' ' TYR . 18.7 mt -117.95 151.67 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 t -129.35 125.03 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 11.7 tpt180 -71.14 140.92 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CD1' HG21 ' A' ' 19' ' ' THR . 44.5 t-105 -111.32 166.98 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.523 HG21 ' CD1' ' A' ' 18' ' ' TRP . 4.8 t -57.18 -29.56 63.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.83 -9.78 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.69 31.29 13.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.88 148.47 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 17' ' ' ARG . 49.0 m-85 -100.91 122.85 44.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.421 ' C ' HD21 ' A' ' 15' ' ' LEU . 44.4 m-85 -108.39 132.92 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.7 146.86 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.77 144.72 9.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 9.7 ttpt -94.27 117.36 30.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.26 98.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -41.43 32.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -131.26 160.82 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.4 t -132.66 118.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.53 141.44 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.9 p -105.38 -25.83 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -49.61 -58.17 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 35.47 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 41.2 mt-30 37.22 41.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.8 p -111.87 173.6 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.0 m -152.97 134.11 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.92 92.06 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.56 134.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.0 104.51 16.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.05 154.83 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.56 -17.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.67 31.44 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 45.06 31.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 45.0 p -113.45 150.0 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -116.67 122.34 44.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.5 m-85 -126.04 129.07 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -74.07 96.85 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.19 143.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.41 142.43 34.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.4 m0 -47.04 -23.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.55 -37.8 74.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -98.23 25.71 5.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.16 102.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -86.49 145.37 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -81.67 98.38 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 14' ' ' VAL . 12.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -161.89 162.76 29.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.81 172.21 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.74 29.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.74 135.61 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -86.82 115.33 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 8' ' ' LEU . 12.1 m -129.33 171.44 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.5 140.92 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -107.73 131.54 54.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -84.65 111.9 19.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.426 ' CD1' HG23 ' A' ' 19' ' ' THR . 63.8 t-105 -86.53 162.09 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 18' ' ' TRP . 11.7 t -56.08 -19.22 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.01 13.56 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.45 70.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.31 160.98 15.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -122.17 110.03 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 96.7 m-85 -101.57 130.32 47.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -74.28 152.8 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.2 147.45 11.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -96.91 115.17 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 11' ' ' GLY . 56.9 mt -60.15 98.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -83.35 -39.64 20.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 29.8 ttp180 -131.26 152.76 50.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.57 113.1 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 t -98.51 141.59 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.2 p -108.56 -40.95 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -38.14 -53.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.3 mmtp -115.88 36.61 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 75.9 mt-30 34.61 41.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -108.35 179.99 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -157.59 132.37 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -74.75 90.49 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.06 122.98 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 m -85.39 99.01 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -62.37 163.73 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.75 -11.16 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.88 26.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.5 29.35 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -117.55 165.64 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -124.76 123.31 39.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -125.99 123.01 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 55.3 m95 -71.68 96.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 51' ' ' LEU . 37.5 t -102.41 144.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' N ' HG11 ' A' ' 50' ' ' VAL . 7.1 mt -79.92 139.92 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.1 m0 -46.4 -31.8 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -62.76 -36.19 82.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -101.62 27.72 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.0 mt -119.14 103.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.62 143.01 27.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -80.96 86.88 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -145.25 165.24 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -99.8 -53.76 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.56 43.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 t -118.36 114.45 22.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 p -170.39 158.71 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.09 130.18 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.36 173.41 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.922 0.392 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -161.64 162.88 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLN . 10.9 mt-10 -66.43 173.92 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.68 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -105.46 134.63 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.482 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 18.6 m-85 -84.85 116.1 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG12 ' NE2' ' A' ' 12' ' ' GLN . 7.6 m -134.61 168.24 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -104.44 143.99 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.4 m -113.98 128.65 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.25 106.15 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.462 ' CD1' HG22 ' A' ' 19' ' ' THR . 44.7 t-105 -77.49 162.13 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.462 HG22 ' CD1' ' A' ' 18' ' ' TRP . 8.8 t -48.66 -44.0 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.69 20.4 10.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.94 154.27 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' OE1' ' A' ' 56' ' ' GLN . 50.6 m-85 -111.44 98.1 7.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 91.7 m-85 -94.19 134.69 36.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.7 tp -75.96 150.01 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.34 155.68 27.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 73.3 tttt -104.8 113.65 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.28 98.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -78.77 -41.85 29.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -132.6 163.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -134.39 116.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.27 140.2 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' SER . 82.6 p -102.08 -39.49 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' SER . 71.2 m -37.18 -59.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.6 mmtp -110.87 35.66 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 78.7 mt-30 34.53 43.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.7 p -111.83 176.94 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.0 m -158.02 131.12 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 47' ' ' LYS . 13.8 tp -73.31 91.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.26 128.83 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 m -91.55 99.38 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.18 167.82 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.82 -10.99 15.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.86 34.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 40.93 30.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -116.24 157.04 25.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HD2' ' CD2' ' A' ' 39' ' ' LEU . 6.7 mtmp? -118.22 123.14 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -124.51 125.81 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -71.29 95.26 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.9 136.69 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.01 143.39 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 16.7 m0 -47.49 -25.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 3.2 ptmt -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 62.2 m-20 -98.76 27.78 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.3 mt -122.62 105.52 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -90.59 153.18 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -87.03 97.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 139.08 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.06 -133.57 4.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -96.21 144.34 27.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.566 0.698 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.64 12.42 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.08 136.72 9.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.874 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -137.52 133.29 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 t -102.22 -55.31 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.28 -145.58 44.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -99.11 171.5 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -97.81 -47.06 5.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.03 126.69 0.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.36 170.51 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -160.15 162.67 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.86 172.36 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 42.43 24.87 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.98 135.09 44.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -85.31 122.32 29.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 12' ' ' GLN . 16.3 m -139.49 174.51 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -111.51 141.47 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.4 m -112.7 125.48 54.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -81.48 102.97 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' NE1' HG22 ' A' ' 19' ' ' THR . 31.0 t-105 -71.95 165.68 23.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.422 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.4 t -51.97 -36.83 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -72.48 -18.28 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.02 17.15 28.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 22' ' ' LEU . 4.5 mm? -88.76 146.72 24.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -104.17 107.5 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -104.27 136.63 43.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.3 tp -74.91 152.35 38.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.15 152.97 21.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -102.97 113.29 26.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' GLY . 75.4 mt -56.14 99.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.22 -36.55 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -140.25 153.95 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -124.54 117.76 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -111.7 141.07 45.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -108.63 -32.14 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -42.3 -47.87 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -118.91 32.79 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LYS . 18.5 mp0 37.56 47.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -123.11 179.0 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 m -158.29 130.89 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD12 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -72.64 90.96 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -92.35 126.45 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.5 m -87.82 99.84 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.76 171.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.38 -13.95 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' SER . 20.1 m-20 -92.77 36.1 1.03 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 41.0 26.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ASP . 63.1 p -109.94 158.61 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -120.39 124.0 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -125.69 124.99 42.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.488 ' CE2' HD12 ' A' ' 39' ' ' LEU . 43.4 m95 -70.54 94.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 t -98.41 148.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.8 mt -81.83 138.53 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -42.85 -30.03 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -37.81 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LEU . 83.2 m-20 -87.49 26.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.3 mt -123.05 101.84 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -57.75 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 167.05 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.14 -176.48 30.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.43 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 m -55.75 145.55 51.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 179.08 3.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -114.24 -117.22 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -138.03 149.15 45.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -77.95 113.07 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -102.32 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -86.05 91.87 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -121.11 -57.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.42 -111.24 0.45 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -53.19 164.36 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 t -159.06 162.44 36.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -65.58 172.1 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.33 28.33 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -105.76 135.31 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.52 115.38 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 m -130.24 173.09 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 24' ' ' TYR . 28.7 mt -111.71 150.33 30.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -122.94 124.74 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -80.28 110.53 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.443 ' CD1' HG23 ' A' ' 19' ' ' THR . 32.2 t-105 -78.69 170.49 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 18' ' ' TRP . 8.8 t -60.74 -16.76 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -95.48 3.3 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.6 3.56 90.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.5 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -89.47 132.43 35.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' C ' HD23 ' A' ' 15' ' ' LEU . 92.5 m-85 -120.79 134.21 55.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.1 tp -74.65 152.33 39.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.14 145.09 9.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -94.52 112.95 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.44 100.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -83.87 -33.28 24.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 40.4 ttt180 -137.4 160.93 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.19 110.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -92.64 141.75 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -112.24 -37.29 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.3 m -44.87 -50.35 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.03 27.08 9.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 80.3 mt-30 44.1 37.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -105.33 -179.59 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.2 130.24 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.0 tp -73.7 93.64 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -93.14 123.08 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 m -84.49 100.57 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.36 153.93 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.66 -16.04 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.18 27.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 48.78 37.89 10.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 p -127.65 156.79 41.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -117.99 122.82 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -123.5 124.35 42.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.53 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 21.9 m95 -70.27 97.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.81 141.37 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -78.99 142.14 36.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 28.8 m0 -46.57 -33.56 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -64.29 -35.13 79.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.06 25.04 6.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.0 mt -121.33 114.42 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -97.17 147.17 24.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.425 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 m170 -82.55 99.1 9.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.41 109.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.82 140.97 8.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.1 m -66.48 145.5 98.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.25 36.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.95 121.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -48.56 -53.41 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -62.09 157.5 18.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.81 71.24 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -77.55 125.1 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -82.15 149.0 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.18 -97.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 14' ' ' VAL . 13.4 mt -55.49 172.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -161.0 162.79 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -64.96 172.11 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.19 28.26 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.431 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -105.79 136.0 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -86.24 120.9 28.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG13 ' NE2' ' A' ' 12' ' ' GLN . 15.0 m -140.42 172.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -103.66 147.54 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.88 121.05 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -78.86 104.95 9.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CD1' HG22 ' A' ' 19' ' ' THR . 60.7 t-105 -78.58 167.52 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.524 HG22 ' CD1' ' A' ' 18' ' ' TRP . 13.4 t -58.88 -21.25 56.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 1.4 m-20 -91.08 6.71 43.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.55 16.65 80.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 20' ' ' ASP . 2.2 mm? -91.68 141.83 28.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -103.65 114.53 28.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 94.1 m-85 -108.5 131.17 55.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 tp -75.43 138.83 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.19 153.53 24.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.49 113.87 25.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.3 mt -56.55 98.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 -42.09 35.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -132.42 162.39 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.77 111.05 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -93.61 144.58 25.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -117.09 -40.81 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -43.61 -48.24 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 13.4 mptt -116.99 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 44.7 mt-30 36.71 45.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -116.03 173.31 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.8 m -151.18 130.98 13.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 HD13 ' CE2' ' A' ' 49' ' ' TRP . 12.8 tp -74.2 96.55 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.19 128.11 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 m -89.36 98.68 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.78 161.12 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -58.65 -11.8 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -92.05 32.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 43.54 33.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -119.33 157.58 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -121.65 122.85 40.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.67 137.93 54.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.494 ' CE2' HD13 ' A' ' 39' ' ' LEU . 14.3 m95 -81.08 96.9 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 17.3 t -105.19 140.79 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.69 144.07 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.456 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 22.7 m0 -47.87 -32.79 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.92 -32.28 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -98.12 32.29 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.0 mt -130.26 113.05 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -93.75 149.02 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -83.53 94.87 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.11 106.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.52 168.69 38.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 m -76.19 144.36 74.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 165.18 31.81 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.64 129.33 3.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -171.44 171.1 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.382 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -92.54 -61.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.91 66.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 34.3 p -60.47 144.59 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.4 m -38.35 152.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.33 -123.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.7 168.47 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -160.91 163.96 31.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -67.74 172.89 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' HA2' ' CE ' ' A' ' 27' ' ' LYS . . . 39.55 30.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -106.41 135.24 48.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.4 m-30 -82.2 116.51 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG11 ' NE2' ' A' ' 12' ' ' GLN . 12.7 m -134.4 172.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.91 148.25 38.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.02 131.57 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -80.46 108.71 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CD1' HG22 ' A' ' 19' ' ' THR . 28.8 t-105 -78.78 170.12 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.417 HG22 ' CD1' ' A' ' 18' ' ' TRP . 3.9 t -64.96 -17.19 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -95.56 6.95 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.88 18.42 77.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.07 160.23 15.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.77 107.51 12.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -99.42 133.97 42.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' A' ' 13' ' ' TYR . 17.5 tp -73.64 148.84 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -162.32 145.06 10.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HA2' ' A' ' 11' ' ' GLY . 65.4 tttt -96.14 110.62 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 81.3 mt -54.99 98.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -39.69 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -130.62 147.12 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -119.94 109.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 2.3 t -97.08 140.92 30.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -103.61 -43.14 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -40.42 -62.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' GLN . 4.0 mmpt? -100.08 31.65 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 49.2 mt-30 34.38 37.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 81.1 p -107.91 178.36 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 m -155.64 131.07 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.41 93.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.5 t -91.43 128.76 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 m -90.9 102.52 15.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.54 155.03 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.4 -16.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.1 31.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 44.73 36.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -121.81 153.94 37.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -118.37 123.28 44.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -127.81 124.79 38.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.0 m95 -69.17 104.51 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.4 140.05 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.3 mt -75.61 139.04 41.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.563 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 22.3 m0 -44.16 -31.85 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.4 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' LEU . 23.3 m-20 -92.3 29.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 91.0 mt -124.28 104.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -87.9 125.17 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.64 104.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.36 99.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.43 140.45 9.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.82 144.61 1.82 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 149.15 66.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.34 -104.95 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -152.97 174.64 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -154.7 172.68 17.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 -174.63 5.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -91.17 42.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -95.37 121.46 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.85 -114.64 0.46 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -54.35 170.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -161.65 163.04 30.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -65.76 172.52 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.13 30.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.7 134.74 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -83.32 120.77 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG13 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -142.9 166.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 24' ' ' TYR . 37.5 mt -100.06 148.04 24.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 96.0 m -120.19 132.94 55.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.93 104.22 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -72.21 170.41 14.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 t -60.37 -19.36 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CB ' HD21 ' A' ' 22' ' ' LEU . 2.7 m-20 -93.57 2.47 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.21 16.22 76.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD21 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -90.48 145.16 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -103.26 114.72 29.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 99.4 m-85 -109.45 134.71 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 tp -78.41 128.02 33.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.58 162.85 27.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -104.58 114.43 28.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' GLY . 73.1 mt -59.33 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.96 -36.75 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 42.3 ttt180 -134.95 160.44 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -127.68 105.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -88.74 142.97 27.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -112.99 -41.84 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 m -39.24 -55.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -113.35 36.54 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' LYS . 53.0 mt-30 36.02 45.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -153.21 131.07 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -73.47 95.3 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.59 125.62 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 m -86.3 105.25 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.4 m-85 -68.86 161.98 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.47 -15.2 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.82 33.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 42.84 33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 p -119.5 160.52 22.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -124.04 126.86 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -129.66 123.26 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 49.6 m95 -68.42 95.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.54 142.49 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.78 141.86 44.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -45.9 -33.88 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -67.71 -35.62 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -77.71 -21.92 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.7 mt -82.05 132.37 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -119.36 121.91 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -51.52 110.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.64 155.24 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.17 157.38 19.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 m -47.96 148.03 3.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.95 7.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.6 165.33 40.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.887 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -160.47 130.47 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -111.34 172.52 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.61 69.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -66.79 143.04 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -59.8 106.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.41 -101.31 2.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.5 167.21 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 t -159.59 167.08 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLY . 11.1 mt-10 -69.22 173.21 5.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.32 31.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.72 134.56 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 7.1 m-85 -85.33 114.26 22.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG11 ' NE2' ' A' ' 12' ' ' GLN . 15.9 m -130.28 174.93 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.35 149.48 30.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -117.71 132.91 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -82.31 109.21 16.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.458 ' NE1' HG22 ' A' ' 19' ' ' THR . 30.6 t-105 -74.0 168.26 19.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.458 HG22 ' NE1' ' A' ' 18' ' ' TRP . 14.7 t -53.2 -43.38 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 5.1 t70 -73.33 -22.22 60.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.78 22.05 6.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 20' ' ' ASP . 3.9 mm? -83.61 161.82 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -120.48 102.02 8.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -97.44 133.49 41.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 tp -76.99 145.33 38.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.5 149.54 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.2 ttpt -97.1 116.77 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.3 mt -58.59 99.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -77.04 -41.63 41.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -135.12 162.4 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.2 t -131.06 114.72 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -102.44 140.58 36.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.0 p -106.29 -26.89 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 m -49.53 -53.91 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.9 mttt -116.26 37.39 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 50.2 mt-30 35.75 39.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -109.29 177.5 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.3 m -157.36 132.11 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -74.56 91.87 2.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -90.45 135.07 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.2 m -97.59 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.18 161.58 26.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -56.71 -16.49 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.14 31.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 42.99 37.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -122.53 156.76 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -118.67 123.36 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -123.8 123.37 40.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.451 ' CE2' HD11 ' A' ' 39' ' ' LEU . 29.6 m95 -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.7 t -108.25 149.74 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ASP . 13.0 mt -85.6 140.84 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 21.6 m0 -45.64 -25.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.9 ptmt -74.03 -36.72 64.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 71.0 m-20 -92.71 28.22 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 94.2 mt -124.92 108.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -90.92 113.31 25.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -45.77 120.58 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.42 143.94 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.16 4.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.07 146.52 97.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.73 18.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.28 94.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -88.95 134.99 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -115.23 153.42 30.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -55.63 29.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -72.28 114.96 10.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -87.91 141.34 28.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.27 -98.5 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 28' ' ' ILE . 15.6 mt -64.52 170.51 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -159.35 163.66 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.15 171.46 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.18 29.57 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -106.33 135.05 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 4.6 m-85 -84.61 118.86 24.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG11 ' NE2' ' A' ' 12' ' ' GLN . 11.2 m -137.39 170.34 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 23' ' ' TYR . 13.6 mt -106.19 140.68 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.0 m -110.84 132.2 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -85.17 110.14 18.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -79.79 168.28 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -59.64 -25.95 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -88.8 5.57 42.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 30.05 56.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.62 152.86 19.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' C ' HD23 ' A' ' 15' ' ' LEU . 60.4 m-85 -113.21 107.43 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.5 m-85 -103.15 129.02 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.31 134.47 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.18 156.83 26.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 tttt -102.15 111.62 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.426 ' CD1' HD22 ' A' ' 8' ' ' LEU . 70.9 mt -54.35 100.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -81.02 -39.91 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 48.1 ttt85 -134.68 156.99 47.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.2 122.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 p -113.57 141.04 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.7 p -106.47 -40.18 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 m -46.43 -44.81 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . 31.3 mtmt -111.31 23.87 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 46.2 mt-30 37.77 33.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -109.19 -177.74 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.7 m -158.99 130.54 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 30' ' ' ARG . 13.9 tp -73.58 90.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.55 129.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -91.51 107.7 19.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -70.44 161.77 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -55.06 -15.74 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.58 36.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.0 36.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.4 p -117.27 149.35 40.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -115.05 120.46 39.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -124.49 125.16 43.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -68.59 98.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 51' ' ' LEU . 39.5 t -103.98 138.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' N ' HG12 ' A' ' 50' ' ' VAL . 10.6 mt -76.71 139.97 40.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 30.6 m0 -45.43 -28.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -36.41 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -95.18 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 52' ' ' TRP . 50.1 mt -130.13 105.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -93.14 119.03 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -50.67 136.75 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.86 168.69 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.92 -149.29 7.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -54.1 144.3 39.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.48 2.82 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' GLU . . . 126.78 166.16 12.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' GLY . 3.4 pm0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.2 m 36.48 42.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -120.04 118.25 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.69 112.51 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -87.51 139.97 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -111.6 -47.47 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 122.32 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.44 174.87 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -161.75 163.8 29.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.76 168.82 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.0 23.74 1.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -100.58 134.76 43.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -85.65 114.17 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG12 ' NE2' ' A' ' 12' ' ' GLN . 6.6 m -129.34 176.22 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.7 mt -115.17 150.22 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.03 130.11 53.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.66 113.68 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CD1' HG23 ' A' ' 19' ' ' THR . 59.3 t-105 -86.82 168.8 13.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.532 HG23 ' CD1' ' A' ' 18' ' ' TRP . 3.8 t -61.87 -12.25 16.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -97.39 11.48 36.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.55 68.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.33 150.47 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -108.75 121.07 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -108.97 129.32 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 54.9 tp -74.52 153.37 39.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.45 155.75 26.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -101.45 113.76 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.726 0.298 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.96 98.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -79.15 -41.79 27.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -132.68 160.24 37.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -133.62 115.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -112.94 140.72 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -103.61 -33.98 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -52.94 -37.45 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -113.32 23.18 13.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . 50.0 mt-30 35.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' LYS . 3.0 m -120.55 174.56 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.1 m -147.4 135.72 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.32 92.19 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.3 120.91 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -82.94 98.47 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.92 156.4 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 9.9 mp0 -56.89 -14.51 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.25 21.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 53.58 40.16 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 83.4 p -129.84 155.56 45.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -115.61 121.61 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 11.2 m-85 -124.39 127.67 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -73.52 97.53 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.83 141.56 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' ASP . 11.8 mt -77.04 138.42 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -43.94 -28.95 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -71.51 -37.83 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.9 m-20 -90.52 27.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.0 mt -123.88 115.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.25 132.46 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -65.82 88.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.56 104.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -107.12 167.51 13.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.42 145.33 63.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.38 37.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.399 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.26 165.22 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -39.67 150.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -99.77 127.76 45.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.4 59.11 0.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -115.51 170.46 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -84.52 168.4 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.82 -102.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.57 167.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -167.22 164.97 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLY . 11.9 mt-10 -66.16 172.12 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.22 34.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.99 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -85.22 111.56 19.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -124.56 -179.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -121.41 144.01 48.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.88 133.78 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -85.34 108.68 17.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -82.15 165.47 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -57.87 -26.36 62.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' CB ' HD23 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -88.04 6.86 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.95 16.89 80.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -84.64 156.97 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -119.27 100.44 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 72.6 m-85 -90.39 126.6 35.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -77.48 135.8 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.66 154.68 25.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -99.85 126.85 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.71 98.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -33.0 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -140.81 156.8 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.0 t -128.18 116.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.518 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -104.66 141.34 36.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 95.2 p -103.35 -39.55 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.0 m -37.3 -56.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 26.8 mtmt -114.71 33.93 5.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 29.1 mp0 35.99 45.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.2 p -115.1 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.1 m -150.38 134.54 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.8 tp -76.03 92.4 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.47 134.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.1 103.7 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -66.88 156.76 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.9 -17.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.81 31.09 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 44.62 34.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.1 p -116.43 149.18 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -114.51 120.68 41.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.0 m-85 -124.61 122.62 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.4 m95 -67.57 99.56 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.3 t -110.13 138.62 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.403 ' CB ' ' HG2' ' A' ' 53' ' ' LYS . 6.7 mt -75.83 141.54 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 11.2 m0 -46.09 -28.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HG2' ' CB ' ' A' ' 51' ' ' LEU . 7.9 ptpp? -63.79 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.38 26.82 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -122.78 110.1 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -92.27 136.27 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -74.31 86.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.05 157.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.45 -164.13 28.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.28 151.22 69.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.4 Cg_endo -69.76 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.8 131.07 0.56 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -148.74 112.68 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -101.2 141.82 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.0 78.77 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -110.57 105.91 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 m -87.03 -50.38 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.3 131.69 4.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.1 mt -68.27 169.43 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -159.21 163.72 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.44 168.2 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.41 26.79 1.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -103.42 135.14 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.934 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 16.3 m-85 -86.61 116.31 24.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG11 ' NE2' ' A' ' 12' ' ' GLN . 14.8 m -130.07 175.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 mt -115.47 151.02 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.1 t -119.88 131.25 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -79.55 128.15 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.454 ' NE1' HG23 ' A' ' 19' ' ' THR . 53.5 t-105 -103.46 166.31 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' NE1' ' A' ' 18' ' ' TRP . 8.9 t -57.92 -23.06 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -92.04 10.7 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.45 13.94 77.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mp -83.59 161.86 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.27 107.18 11.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -95.84 126.44 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' C ' ' OE2' ' A' ' 43' ' ' GLU . 54.9 tp -73.94 156.49 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.55 154.04 22.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.4 tttt -102.92 115.28 30.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.16 99.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -81.31 -41.15 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -130.93 160.29 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -133.35 118.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 p -113.98 140.98 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -106.56 -29.06 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -36.33 71.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.799 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' SER . 23.0 mmtm -118.49 23.83 11.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.5 mt-30 36.86 31.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' LYS . 2.1 m -113.14 174.5 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 10.8 m -151.58 132.24 13.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 49' ' ' TRP . 14.7 tp -72.92 90.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.46 118.95 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 m -82.93 98.41 9.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.38 158.22 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 12.5 mp0 -58.74 -13.82 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.84 29.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.12 44.36 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 32.6 p -131.71 152.82 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -116.38 121.86 43.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.1 m-85 -125.92 122.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CE2' HD12 ' A' ' 39' ' ' LEU . 39.0 m95 -70.11 94.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.47 143.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -80.11 144.64 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -37.49 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.93 33.07 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -125.19 107.29 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -94.91 121.88 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -59.03 112.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 155.39 32.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -139.82 133.57 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -51.83 147.11 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -43.65 2.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.32 -75.5 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -141.75 157.52 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m -61.73 128.03 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.16 45.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -111.73 138.46 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -65.02 -43.27 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.6 131.98 5.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt -74.53 170.25 16.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.5 t -157.86 166.93 31.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -68.86 170.55 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 39.94 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.86 134.82 50.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -83.65 118.71 24.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 ' NE2' ' A' ' 12' ' ' GLN . 6.7 m -137.66 171.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -106.52 143.94 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.9 130.42 56.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -84.12 112.22 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.54 ' CD1' HG22 ' A' ' 19' ' ' THR . 36.5 t-105 -77.6 166.08 23.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.54 HG22 ' CD1' ' A' ' 18' ' ' TRP . 9.1 t -48.8 -40.92 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' CD2' ' A' ' 22' ' ' LEU . 8.4 t70 -73.76 -20.12 60.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 23.63 7.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 4.4 mm? -88.89 147.39 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -106.25 107.32 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.4 133.96 49.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.2 tp -73.95 140.52 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.3 159.4 29.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.72 114.93 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' GLY . 68.9 mt -59.55 98.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -81.19 -41.51 22.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -131.58 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -117.35 112.06 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -100.72 141.74 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -109.12 -37.19 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -40.42 -53.74 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' GLN . 72.5 mttt -115.26 35.83 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 28.7 mt-30 35.89 42.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.8 p -112.93 171.03 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.0 m -150.66 131.95 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.76 90.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.66 129.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m -93.27 105.03 17.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.87 155.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -50.74 -17.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -90.17 33.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m120 42.96 31.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 19.2 p -112.36 147.32 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -115.28 119.07 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.2 m-85 -123.35 123.64 41.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 28.9 m95 -68.76 98.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.42 142.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.11 141.1 37.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 20.1 m0 -44.74 -32.27 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.92 26.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.79 103.23 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.57 154.0 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -89.16 109.58 20.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.35 88.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.25 146.9 16.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.43 151.15 96.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.158 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.71 35.12 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.55 109.98 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -101.2 146.18 27.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -112.39 -56.72 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.16 -76.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -131.86 132.64 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -96.26 -58.17 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.25 -71.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.17 174.76 3.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -159.28 164.98 34.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.36 169.72 8.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.67 31.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.86 134.59 50.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 23.9 m-85 -85.88 121.44 28.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.407 HG13 ' NE2' ' A' ' 12' ' ' GLN . 12.9 m -138.52 168.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.6 mt -108.43 141.84 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.6 t -111.13 132.96 53.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -81.49 106.34 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.535 ' CD1' HG23 ' A' ' 19' ' ' THR . 31.8 t-105 -71.96 170.52 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' CD1' ' A' ' 18' ' ' TRP . 7.1 t -57.58 -33.66 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.06 -10.39 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.56 16.29 37.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.99 160.32 21.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -115.88 111.54 20.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -105.27 131.78 52.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.65 143.64 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.77 147.92 15.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 61.4 tttt -97.39 113.34 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.0 mt -56.27 98.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -78.42 -42.28 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -134.33 159.37 41.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.4 t -123.59 110.64 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.424 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -95.85 140.51 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.2 p -109.74 -40.83 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 m -39.56 -50.88 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 2.4 mppt? -116.83 36.83 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' LYS . 41.8 mt-30 34.75 42.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.7 m -112.95 175.84 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.2 m -153.67 129.56 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 15.0 tp -72.44 92.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.71 134.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 m -95.32 101.97 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.6 166.56 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.8 -15.47 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -90.87 33.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 40.92 29.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.425 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 58.1 p -113.99 156.19 24.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -115.96 121.77 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.425 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 12.4 m-85 -122.55 124.09 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 25.2 m95 -69.58 97.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 51' ' ' LEU . 21.8 t -105.44 143.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 50' ' ' VAL . 5.9 mt -79.34 138.63 37.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -44.04 -30.84 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.5 ptmt -70.94 -37.82 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-20 -90.68 33.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.6 mt -129.53 109.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.4 120.61 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.37 108.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.74 147.95 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.76 139.74 5.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -50.82 144.3 13.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 90.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.294 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 -120.1 4.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.883 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 p -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -100.21 165.99 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.15 117.79 4.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -87.81 106.85 18.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -88.71 175.64 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.64 -111.3 2.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 28' ' ' ILE . 16.1 mt -52.12 175.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -162.17 165.39 27.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.34 168.01 15.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.31 27.11 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' NE2' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -103.68 134.63 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 20.6 m-85 -84.77 116.49 23.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG11 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -135.03 168.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -109.49 145.28 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -114.26 129.78 56.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -83.43 109.01 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.43 ' NE1' HG22 ' A' ' 19' ' ' THR . 27.6 t-105 -77.67 169.36 18.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.43 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.6 t -57.31 -27.72 62.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.35 -7.83 59.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.04 9.84 63.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.88 145.59 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -104.43 116.61 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 98.4 m-85 -108.56 129.26 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.82 145.41 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.56 152.62 23.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 57.8 tttt -99.57 114.15 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.445 ' CD1' HD22 ' A' ' 8' ' ' LEU . 90.4 mt -56.9 98.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -79.31 -39.43 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -135.64 160.57 38.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.11 112.04 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 t -95.89 143.81 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -112.61 -41.58 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -40.15 -54.0 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLN . 48.4 mmtt -113.37 36.59 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' LYS . 57.6 mt-30 34.77 41.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.0 m -111.56 175.0 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.1 m -151.98 131.62 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 13.3 tp -73.27 96.48 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -97.82 130.31 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -91.93 99.71 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.74 160.35 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.88 -15.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.23 35.04 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 12.5 t-20 42.25 27.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 16.3 p -109.32 151.7 26.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -116.93 122.43 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-85 -125.93 126.75 44.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 33.0 m95 -71.74 97.44 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.47 146.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.56 140.69 34.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 29.1 m0 -46.47 -29.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -95.22 27.41 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -120.83 105.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -87.04 140.15 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.38 108.58 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 125.48 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.92 151.79 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -43.38 144.28 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.42 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.364 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.98 153.51 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -144.02 134.48 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -66.18 170.53 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.19 76.58 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -91.59 40.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 134.1 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.67 -77.56 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.11 173.88 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -163.33 163.08 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.43 167.38 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 46.3 27.33 2.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' NE2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -104.29 134.81 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 32.0 m-85 -85.89 116.05 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' NE2' ' A' ' 12' ' ' GLN . 15.9 m -131.46 173.74 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 23' ' ' TYR . 14.4 mt -110.55 144.1 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.7 m -113.45 133.21 55.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -85.41 107.49 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.449 ' NE1' HG23 ' A' ' 19' ' ' THR . 36.6 t-105 -76.04 166.53 23.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 HG23 ' NE1' ' A' ' 18' ' ' TRP . 15.4 t -53.25 -40.4 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' N ' HG22 ' A' ' 19' ' ' THR . 7.9 t70 -71.6 -22.07 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.79 14.76 16.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.6 mm? -84.09 149.59 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 50.0 m-85 -107.41 102.52 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.9 m-85 -95.6 130.98 42.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.21 148.32 41.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.46 154.99 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.2 tttt -103.55 114.31 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.705 0.288 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 11' ' ' GLY . 80.4 mt -57.98 98.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -41.15 29.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 69.4 ttt180 -131.59 158.38 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.44 117.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 t -102.18 143.91 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -112.07 -40.15 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -40.58 -53.89 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 19.6 mmtp -114.18 35.94 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 42.1 mt-30 36.23 39.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 m -106.17 177.82 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 m -159.17 131.04 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 49' ' ' TRP . 15.0 tp -72.68 99.16 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.11 118.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -82.88 98.43 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.449 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 2.9 m-85 -59.8 178.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.88 -16.15 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' OD1' ' CB ' ' A' ' 42' ' ' PHE . 17.1 p-10 -91.66 37.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m120 39.66 44.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.3 p -126.75 149.08 49.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.4 mtmp? -113.13 115.99 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.6 m-85 -121.19 123.49 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 61.7 m95 -72.87 98.48 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -105.74 144.26 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.44 146.51 40.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.6 m0 -50.67 -24.8 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -75.24 -32.77 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.67 27.62 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.0 mt -125.69 100.12 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -51.35 122.82 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.29 -178.66 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.16 -2.01 6.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.44 146.64 71.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -135.61 7.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.931 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -106.93 122.3 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -109.63 106.09 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.13 99.43 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -107.38 118.89 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -84.92 120.42 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.94 -87.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 28' ' ' ILE . 14.3 mt -60.01 168.06 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 t -156.64 162.99 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.74 169.79 9.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.6 28.06 0.98 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -104.33 134.69 47.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 3.9 m-85 -85.53 113.47 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.404 HG12 ' NE2' ' A' ' 12' ' ' GLN . 10.8 m -127.06 179.09 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 mt -118.11 145.73 44.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -121.0 129.55 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -82.03 115.25 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CD1' HG23 ' A' ' 19' ' ' THR . 45.3 t-105 -86.49 164.23 17.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.492 HG23 ' CD1' ' A' ' 18' ' ' TRP . 8.7 t -51.67 -40.55 60.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -62.6 -22.55 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.06 23.32 9.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.79 159.47 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -112.57 117.6 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.48 132.57 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -76.79 142.87 40.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.78 154.24 25.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.7 ttpt -99.93 116.25 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 8' ' ' LEU . 96.8 mt -57.6 99.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.39 -38.28 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -138.2 145.88 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.9 t -117.48 116.95 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 140.87 39.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' SER . 90.3 p -104.82 -38.87 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' SER . 30.2 m -37.51 -55.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' GLN . 14.4 mttp -114.28 36.05 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 21.9 mp0 34.61 43.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -113.75 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.3 m -154.93 131.67 10.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.02 91.67 2.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.3 125.13 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -86.08 101.13 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.74 152.3 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -51.3 -17.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.31 24.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m120 50.78 34.34 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 p -122.92 159.16 28.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -118.95 123.54 44.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -124.54 126.31 45.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.94 100.02 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.61 148.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.63 141.74 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.7 m0 -46.5 -20.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -75.03 -37.8 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.33 28.96 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.6 mt -125.07 109.5 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -94.89 121.62 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -58.57 102.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.53 167.94 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -179.37 26.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.43 149.74 58.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.96 29.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.59 -51.32 0.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -174.98 171.56 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.825 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -84.42 -49.43 8.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.04 135.03 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -91.98 -49.22 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 110.806 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -42.8 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.86 117.94 2.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 14' ' ' VAL . 8.2 mt -53.8 176.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 t -158.67 163.03 37.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -65.45 171.38 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.55 31.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.83 134.57 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -84.78 119.31 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 8' ' ' LEU . 16.9 m -137.12 177.34 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -113.66 142.41 46.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.5 m -121.5 122.64 40.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 12.4 ttt180 -80.57 112.21 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.464 ' NE1' HG23 ' A' ' 19' ' ' THR . 39.0 t-105 -81.53 165.26 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 HG23 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -52.27 -38.15 57.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -22.88 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.26 8.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.9 mt -119.62 141.33 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE1' ' HG3' ' A' ' 17' ' ' ARG . 63.7 m-85 -93.46 126.51 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 74.8 m-85 -115.75 138.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB3' ' CD ' ' A' ' 43' ' ' GLU . 64.2 tp -74.72 154.95 38.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 154.17 21.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HE3' ' CA ' ' A' ' 11' ' ' GLY . 58.0 tttt -101.2 113.76 27.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' GLY . 93.9 mt -57.23 100.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -81.71 -39.23 24.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -134.12 162.53 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -132.62 112.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 140.42 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -109.12 -30.61 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.5 m -44.49 -48.5 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' GLN . 53.4 mttt -118.86 32.69 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.6 mt-30 38.07 46.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 m -119.52 175.63 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 m -156.35 130.55 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.4 91.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.49 125.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -88.01 99.33 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.35 162.93 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 25' ' ' LEU . 5.5 mp0 -59.55 -18.38 40.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.31 29.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m120 47.58 35.84 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 27.7 p -120.0 149.12 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -115.9 121.79 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -126.31 125.56 42.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -69.51 99.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.9 t -105.73 147.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 9.7 mt -79.45 138.25 37.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -43.92 -32.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -37.72 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . 76.9 m-20 -89.76 29.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.0 mt -126.49 103.05 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 1.7 tm0? -90.06 127.99 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.405 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 14.1 m170 -60.85 93.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.19 150.16 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.56 119.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.9 148.72 92.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 128.99 16.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.84 61.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -87.1 -60.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -80.19 100.55 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 86.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -73.75 117.7 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -114.92 -47.16 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.87 -92.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.76 165.65 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 t -157.53 172.46 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.76 170.8 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.93 33.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' NE2' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -107.56 134.61 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 12.1 m-85 -85.48 122.18 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG12 ' NE2' ' A' ' 12' ' ' GLN . 15.4 m -140.13 173.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -108.68 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.9 m -112.35 133.09 54.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -86.24 103.17 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CD1' HG21 ' A' ' 19' ' ' THR . 31.6 t-105 -71.69 163.3 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.452 HG21 ' CD1' ' A' ' 18' ' ' TRP . 5.7 t -50.42 -40.0 48.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.76 -18.88 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.28 32.96 5.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -99.22 154.09 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -113.42 99.17 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 87.1 m-85 -99.66 134.51 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.6 141.89 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.37 156.88 27.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 64.7 tttt -102.16 119.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.59 98.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -75.32 -41.91 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -134.46 162.12 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.5 t -130.72 117.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -106.38 142.0 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -107.97 -35.94 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -47.36 -44.57 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.8 mttt -119.2 31.87 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' LYS . 36.8 mt-30 34.44 40.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 p -113.55 171.48 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.0 m -149.85 130.64 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.56 91.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.95 137.7 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -99.74 109.87 22.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -74.71 157.27 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.64 -18.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.57 36.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 38.86 37.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.0 p -118.29 149.91 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -116.48 122.2 44.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -125.97 125.22 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -67.8 95.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -103.21 128.9 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.79 141.24 53.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 24.7 m0 -45.96 -32.26 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -63.69 -37.53 87.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.32 31.79 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.43 110.72 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -94.63 138.12 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -75.06 98.44 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.74 117.02 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.25 2.46 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.55 144.27 39.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.34 166.91 24.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m 47.23 42.36 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -90.99 117.16 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.77 -85.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 59.47 42.32 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -106.78 124.45 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.36 -77.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 mt -71.23 163.7 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -158.15 162.81 37.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.0 169.28 8.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.05 30.5 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.7 135.22 48.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 3.8 m-85 -86.79 112.28 21.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -128.56 -179.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 24' ' ' TYR . 18.7 mt -117.95 151.67 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 t -129.35 125.03 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 11.7 tpt180 -71.14 140.92 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.523 ' CD1' HG21 ' A' ' 19' ' ' THR . 44.5 t-105 -111.32 166.98 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.523 HG21 ' CD1' ' A' ' 18' ' ' TRP . 4.8 t -57.18 -29.56 63.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.83 -9.78 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.69 31.29 13.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.88 148.47 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 17' ' ' ARG . 49.0 m-85 -100.91 122.85 44.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' C ' HD21 ' A' ' 15' ' ' LEU . 44.4 m-85 -108.39 132.92 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 tp -73.7 146.86 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.77 144.72 9.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 13' ' ' TYR . 9.7 ttpt -94.27 117.36 30.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.26 98.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -41.43 32.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -131.26 160.82 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.4 t -132.66 118.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.53 141.44 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.9 p -105.38 -25.83 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -49.61 -58.17 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 35.47 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 41.2 mt-30 37.22 41.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.8 p -111.87 173.6 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.0 m -152.97 134.11 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.92 92.06 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -90.56 134.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.0 104.51 16.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.05 154.83 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.56 -17.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.67 31.44 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 45.06 31.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 45.0 p -113.45 150.0 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -116.67 122.34 44.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.5 m-85 -126.04 129.07 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -74.07 96.85 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.2 t -106.19 143.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.41 142.43 34.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.4 m0 -47.04 -23.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.55 -37.8 74.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -98.23 25.71 5.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.16 102.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -86.49 145.37 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -81.67 98.38 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.69 122.06 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.64 166.75 0.45 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -47.94 144.37 5.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.643 2.228 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.79 113.57 1.7 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -61.15 89.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -111.87 172.98 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 -62.83 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -133.91 172.95 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.858 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -138.12 122.38 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.4 130.21 6.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 14' ' ' VAL . 12.8 mt -64.96 170.46 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -161.89 162.76 29.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.81 172.21 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.74 29.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.74 135.61 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -86.82 115.33 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 8' ' ' LEU . 12.1 m -129.33 171.44 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.5 140.92 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -107.73 131.54 54.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -84.65 111.9 19.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.426 ' CD1' HG23 ' A' ' 19' ' ' THR . 63.8 t-105 -86.53 162.09 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 18' ' ' TRP . 11.7 t -56.08 -19.22 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.01 13.56 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.45 70.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.31 160.98 15.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -122.17 110.03 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 96.7 m-85 -101.57 130.32 47.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -74.28 152.8 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.2 147.45 11.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -96.91 115.17 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 11' ' ' GLY . 56.9 mt -60.15 98.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -83.35 -39.64 20.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 29.8 ttp180 -131.26 152.76 50.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.7 t -121.57 113.1 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 t -98.51 141.59 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.2 p -108.56 -40.95 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -38.14 -53.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.3 mmtp -115.88 36.61 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 75.9 mt-30 34.61 41.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -108.35 179.99 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -157.59 132.37 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -74.75 90.49 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.06 122.98 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 m -85.39 99.01 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -62.37 163.73 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.75 -11.16 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.88 26.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.5 29.35 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -117.55 165.64 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -124.76 123.31 39.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -125.99 123.01 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 55.3 m95 -71.68 96.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 51' ' ' LEU . 37.5 t -102.41 144.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' N ' HG11 ' A' ' 50' ' ' VAL . 7.1 mt -79.92 139.92 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.1 m0 -46.4 -31.8 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -62.76 -36.19 82.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -101.62 27.72 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.0 mt -119.14 103.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.62 143.01 27.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -80.96 86.88 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 107.56 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.66 140.07 2.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 m -41.48 151.94 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -34.26 15.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.7 -83.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 14.6 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.392 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.64 162.88 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.9 mt-10 -66.43 173.92 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.68 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.46 134.63 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.485 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 18.6 m-85 -84.85 116.1 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 m -134.61 168.24 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 23' ' ' TYR . 15.7 mt -104.44 143.99 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 50' ' ' VAL . 90.4 m -113.98 128.65 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.25 106.15 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.572 ' CE2' HG22 ' A' ' 19' ' ' THR . 44.7 t-105 -77.49 162.13 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.8 t -48.66 -44.0 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' THR . 85.2 m-20 -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.69 20.4 10.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.6 mm? -91.94 154.27 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' C ' HD22 ' A' ' 15' ' ' LEU . 50.6 m-85 -111.44 98.1 7.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' C ' HD23 ' A' ' 15' ' ' LEU . 91.7 m-85 -94.19 134.69 36.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD21 ' HD2' ' A' ' 13' ' ' TYR . 33.7 tp -75.96 150.01 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.34 155.68 27.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 73.3 tttt -104.8 113.65 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 80.1 mt -56.28 98.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -78.77 -41.85 29.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -132.6 163.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -134.39 116.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.27 140.2 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' SER . 82.6 p -102.08 -39.49 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' SER . 71.2 m -37.18 -59.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.6 mmtp -110.87 35.66 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 78.7 mt-30 34.53 43.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.7 p -111.83 176.94 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' HG13 ' A' ' 31' ' ' VAL . 49.0 m -158.02 131.12 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 47' ' ' LYS . 13.8 tp -73.31 91.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.26 128.83 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 m -91.55 99.38 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.18 167.82 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.82 -10.99 15.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.86 34.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 40.93 30.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -116.24 157.04 25.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.799 ' HD2' HD21 ' A' ' 39' ' ' LEU . 6.7 mtmp? -118.22 123.14 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -124.51 125.81 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -71.29 95.26 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.414 HG21 ' SG ' ' A' ' 16' ' ' CYS . 15.2 t -105.9 136.69 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.01 143.39 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 16.7 m0 -47.49 -25.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 3.2 ptmt -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 62.2 m-20 -98.76 27.78 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -122.62 105.52 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -90.59 153.18 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -87.03 97.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.657 HD22 ' CD1' ' A' ' 28' ' ' ILE . 15.2 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.15 162.67 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' THR . 15.8 mt-10 -66.86 172.36 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 42.43 24.87 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -101.98 135.09 44.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 8.2 m-85 -85.31 122.32 29.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.3 m -139.49 174.51 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 17.8 mt -111.51 141.47 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.876 ' SG ' HG21 ' A' ' 50' ' ' VAL . 85.4 m -112.7 125.48 54.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -81.48 102.97 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' HG22 ' A' ' 19' ' ' THR . 31.0 t-105 -71.95 165.68 23.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.4 t -51.97 -36.83 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.713 ' HB3' HD23 ' A' ' 22' ' ' LEU . 5.1 t70 -72.48 -18.28 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.02 17.15 28.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.5 mm? -88.76 146.72 24.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.1 m-85 -104.17 107.5 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.517 ' C ' HD23 ' A' ' 15' ' ' LEU . 89.9 m-85 -104.27 136.63 43.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 14' ' ' VAL . 20.3 tp -74.91 152.35 38.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.15 152.97 21.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -102.97 113.29 26.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.657 ' CD1' HD22 ' A' ' 8' ' ' LEU . 75.4 mt -56.14 99.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.22 -36.55 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 21.1 ttm180 -140.25 153.95 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -124.54 117.76 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -111.7 141.07 45.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -108.63 -32.14 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -42.3 -47.87 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -118.91 32.79 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LYS . 18.5 mp0 37.56 47.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -123.11 179.0 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 m -158.29 130.89 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -72.64 90.96 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -92.35 126.45 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.5 m -87.82 99.84 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.76 171.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.38 -13.95 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' SER . 20.1 m-20 -92.77 36.1 1.03 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 41.0 26.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ASP . 63.1 p -109.94 158.61 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -120.39 124.0 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -125.69 124.99 42.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CE2' HD13 ' A' ' 39' ' ' LEU . 43.4 m95 -70.54 94.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.876 HG21 ' SG ' ' A' ' 16' ' ' CYS . 14.2 t -98.41 148.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.8 mt -81.83 138.53 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.58 ' HA ' HD12 ' A' ' 55' ' ' ILE . 35.8 m0 -42.85 -30.03 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -37.81 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LEU . 83.2 m-20 -87.49 26.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -123.05 101.84 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -57.75 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.0 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.3 t -159.06 162.44 36.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -65.58 172.1 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.33 28.33 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -105.76 135.31 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.1 m-85 -87.52 115.38 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.468 HG11 HD21 ' A' ' 8' ' ' LEU . 10.9 m -130.24 173.09 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -111.71 150.33 30.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -122.94 124.74 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -80.28 110.53 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 32.2 t-105 -78.69 170.49 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -60.74 -16.76 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -95.48 3.3 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.6 3.56 90.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.5 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -89.47 132.43 35.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -120.79 134.21 55.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 13' ' ' TYR . 30.1 tp -74.65 152.33 39.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -168.14 145.09 9.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -94.52 112.95 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.708 ' CD1' HD22 ' A' ' 8' ' ' LEU . 92.3 mt -57.44 100.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -83.87 -33.28 24.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 40.4 ttt180 -137.4 160.93 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.19 110.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -92.64 141.75 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -112.24 -37.29 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.3 m -44.87 -50.35 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.03 27.08 9.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 80.3 mt-30 44.1 37.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -105.33 -179.59 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.2 130.24 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.565 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.0 tp -73.7 93.64 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.2 t -93.14 123.08 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 m -84.49 100.57 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.36 153.93 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.66 -16.04 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.18 27.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 48.78 37.89 10.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 p -127.65 156.79 41.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -117.99 122.82 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.3 m-85 -123.5 124.35 42.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 21.9 m95 -70.27 97.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 48' ' ' TYR . 3.4 t -105.81 141.37 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -78.99 142.14 36.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 28.8 m0 -46.57 -33.56 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -64.29 -35.13 79.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.06 25.04 6.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 52' ' ' TRP . 93.0 mt -121.33 114.42 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -97.17 147.17 24.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.425 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 m170 -82.55 99.1 9.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -161.0 162.79 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -64.96 172.11 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.19 28.26 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -105.79 136.0 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.9 m-85 -86.24 120.9 28.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 8' ' ' LEU . 15.0 m -140.42 172.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.1 mt -103.66 147.54 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.0 m -116.88 121.05 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -78.86 104.95 9.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 19' ' ' THR . 60.7 t-105 -78.58 167.52 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 20' ' ' ASP . 13.4 t -58.88 -21.25 56.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.645 ' CB ' HD23 ' A' ' 22' ' ' LEU . 1.4 m-20 -91.08 6.71 43.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.55 16.65 80.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 20' ' ' ASP . 2.2 mm? -91.68 141.83 28.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.719 ' HB3' HD22 ' A' ' 15' ' ' LEU . 47.6 m-85 -103.65 114.53 28.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 94.1 m-85 -108.5 131.17 55.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 13' ' ' TYR . 63.0 tp -75.43 138.83 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.19 153.53 24.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.49 113.87 25.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 8' ' ' LEU . 81.3 mt -56.55 98.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HE3' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -77.71 -42.09 35.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -132.42 162.39 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.77 111.05 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -93.61 144.58 25.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -117.09 -40.81 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -43.61 -48.24 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 13.4 mptt -116.99 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 44.7 mt-30 36.71 45.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -116.03 173.31 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.8 m -151.18 130.98 13.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD23 ' HE3' ' A' ' 29' ' ' LYS . 12.8 tp -74.2 96.55 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.19 128.11 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 m -89.36 98.68 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.78 161.12 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -58.65 -11.8 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -92.05 32.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 43.54 33.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -119.33 157.58 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -121.65 122.85 40.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.67 137.93 54.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 14.3 m95 -81.08 96.9 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG21 ' SG ' ' A' ' 16' ' ' CYS . 17.3 t -105.19 140.79 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.69 144.07 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.797 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.7 m0 -47.87 -32.79 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.92 -32.28 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -98.12 32.29 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 52' ' ' TRP . 63.0 mt -130.26 113.05 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -93.75 149.02 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -83.53 94.87 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.91 163.96 31.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.5 mt-10 -67.74 172.89 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 27' ' ' LYS . . . 39.55 30.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.41 135.24 48.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' A' ' 25' ' ' LEU . 3.4 m-30 -82.2 116.51 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 m -134.4 172.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.91 148.25 38.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.02 131.57 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -80.46 108.71 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -78.78 170.12 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 t -64.96 -17.19 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -95.56 6.95 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.88 18.42 77.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.07 160.23 15.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.77 107.51 12.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -99.42 133.97 42.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 13' ' ' TYR . 17.5 tp -73.64 148.84 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 40' ' ' VAL . . . -162.32 145.06 10.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' CE ' ' HA2' ' A' ' 11' ' ' GLY . 65.4 tttt -96.14 110.62 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 8' ' ' LEU . 81.3 mt -54.99 98.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -39.69 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -130.62 147.12 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -119.94 109.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 2.3 t -97.08 140.92 30.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -103.61 -43.14 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -40.42 -62.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' GLN . 4.0 mmpt? -100.08 31.65 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 49.2 mt-30 34.38 37.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 81.1 p -107.91 178.36 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 m -155.64 131.07 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.41 93.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HA3' ' A' ' 26' ' ' GLY . 1.5 t -91.43 128.76 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 m -90.9 102.52 15.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.54 155.03 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.4 -16.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.1 31.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 44.73 36.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -121.81 153.94 37.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -118.37 123.28 44.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.4 m-85 -127.81 124.79 38.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.0 m95 -69.17 104.51 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 48' ' ' TYR . 18.6 t -113.4 140.05 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.3 mt -75.61 139.04 41.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.3 m0 -44.16 -31.85 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.4 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' LEU . 23.3 m-20 -92.3 29.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 52' ' ' TRP . 91.0 mt -124.28 104.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -87.9 125.17 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.64 104.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.686 HD22 ' CD1' ' A' ' 28' ' ' ILE . 14.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -161.65 163.04 30.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' THR . 13.0 mt-10 -65.76 172.52 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.13 30.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.65 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -107.7 134.74 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 25' ' ' LEU . 8.4 m-85 -83.32 120.77 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.9 166.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -100.06 148.04 24.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' HG21 ' A' ' 50' ' ' VAL . 96.0 m -120.19 132.94 55.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.93 104.22 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.428 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.1 t-105 -72.21 170.41 14.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 HG22 ' CE2' ' A' ' 18' ' ' TRP . 4.9 t -60.37 -19.36 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' A' ' 22' ' ' LEU . 2.7 m-20 -93.57 2.47 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.21 16.22 76.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -90.48 145.16 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -103.26 114.72 29.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.482 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 99.4 m-85 -109.45 134.71 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 13' ' ' TYR . 21.3 tp -78.41 128.02 33.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.58 162.85 27.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -104.58 114.43 28.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.686 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.1 mt -59.33 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.96 -36.75 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 42.3 ttt180 -134.95 160.44 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -127.68 105.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -88.74 142.97 27.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -112.99 -41.84 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 m -39.24 -55.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -113.35 36.54 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' LYS . 53.0 mt-30 36.02 45.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -153.21 131.07 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -73.47 95.3 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.59 125.62 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 m -86.3 105.25 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.4 m-85 -68.86 161.98 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.47 -15.2 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.82 33.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 42.84 33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 p -119.5 160.52 22.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HD2' HD21 ' A' ' 39' ' ' LEU . 21.8 mtmt -124.04 126.86 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.6 m-85 -129.66 123.26 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 49.6 m95 -68.42 95.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.507 HG21 ' SG ' ' A' ' 16' ' ' CYS . 12.2 t -102.54 142.49 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' HZ2' ' A' ' 53' ' ' LYS . 13.2 mt -74.78 141.86 44.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.673 ' HA ' HD12 ' A' ' 55' ' ' ILE . 33.2 m0 -45.9 -33.88 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HZ2' HD12 ' A' ' 51' ' ' LEU . 2.3 ptmm? -67.71 -35.62 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.5 m-20 -77.71 -21.92 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 52' ' ' TRP . 24.7 mt -82.05 132.37 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -119.36 121.91 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -51.52 110.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.749 HD22 HD11 ' A' ' 28' ' ' ILE . 13.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.867 0.365 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.6 t -159.59 167.08 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 11.1 mt-10 -69.22 173.21 5.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.32 31.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.461 ' NE2' ' N ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -107.72 134.56 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 7.1 m-85 -85.33 114.26 22.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 8' ' ' LEU . 15.9 m -130.28 174.93 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' TYR . 34.4 mt -110.35 149.48 30.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -117.71 132.91 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -82.31 109.21 16.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.49 ' NE1' HG22 ' A' ' 19' ' ' THR . 30.6 t-105 -74.0 168.26 19.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.49 HG22 ' NE1' ' A' ' 18' ' ' TRP . 14.7 t -53.2 -43.38 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 19' ' ' THR . 5.1 t70 -73.33 -22.22 60.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.78 22.05 6.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 20' ' ' ASP . 3.9 mm? -83.61 161.82 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 15' ' ' LEU . 52.8 m-85 -120.48 102.02 8.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -97.44 133.49 41.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 13' ' ' TYR . 25.0 tp -76.99 145.33 38.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.5 149.54 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.2 ttpt -97.1 116.77 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.749 HD11 HD22 ' A' ' 8' ' ' LEU . 82.3 mt -58.59 99.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -77.04 -41.63 41.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -135.12 162.4 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.2 t -131.06 114.72 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -102.44 140.58 36.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.0 p -106.29 -26.89 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 m -49.53 -53.91 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.9 mttt -116.26 37.39 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 50.2 mt-30 35.75 39.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -109.29 177.5 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.598 ' SG ' HG13 ' A' ' 31' ' ' VAL . 23.3 m -157.36 132.11 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD21 ' HD3' ' A' ' 47' ' ' LYS . 14.1 tp -74.56 91.87 2.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -90.45 135.07 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.2 m -97.59 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.18 161.58 26.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -56.71 -16.49 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.14 31.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 42.99 37.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -122.53 156.76 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 39' ' ' LEU . 66.7 mttt -118.67 123.36 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.1 m-85 -123.8 123.37 40.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CE2' HD13 ' A' ' 39' ' ' LEU . 29.6 m95 -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.7 t -108.25 149.74 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ASP . 13.0 mt -85.6 140.84 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 21.6 m0 -45.64 -25.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.9 ptmt -74.03 -36.72 64.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 71.0 m-20 -92.71 28.22 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.2 mt -124.92 108.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -90.92 113.31 25.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -45.77 120.58 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.726 HD22 HD11 ' A' ' 28' ' ' ILE . 15.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -159.35 163.66 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -66.15 171.46 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.18 29.57 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.517 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -106.33 135.05 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.717 ' HB3' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -84.61 118.86 24.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 8' ' ' LEU . 11.2 m -137.39 170.34 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 23' ' ' TYR . 13.6 mt -106.19 140.68 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 50' ' ' VAL . 84.0 m -110.84 132.2 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -85.17 110.14 18.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.411 ' CE2' HG22 ' A' ' 19' ' ' THR . 28.7 t-105 -79.79 168.28 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 18' ' ' TRP . 10.0 t -59.64 -25.95 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -88.8 5.57 42.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 30.05 56.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.62 152.86 19.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.695 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.4 m-85 -113.21 107.43 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.5 m-85 -103.15 129.02 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 13' ' ' TYR . 40.7 tp -74.31 134.47 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.18 156.83 26.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 tttt -102.15 111.62 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.726 HD11 HD22 ' A' ' 8' ' ' LEU . 70.9 mt -54.35 100.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -81.02 -39.91 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 48.1 ttt85 -134.68 156.99 47.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 38' ' ' CYS . 57.5 t -128.2 122.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 p -113.57 141.04 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.7 p -106.47 -40.18 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 m -46.43 -44.81 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . 31.3 mtmt -111.31 23.87 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 46.2 mt-30 37.77 33.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -109.19 -177.74 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 31' ' ' VAL . 11.7 m -158.99 130.54 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD21 ' HD3' ' A' ' 47' ' ' LYS . 13.9 tp -73.58 90.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.55 129.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -91.51 107.7 19.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -70.44 161.77 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -55.06 -15.74 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.58 36.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.0 36.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.4 p -117.27 149.35 40.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.568 ' HD3' HD21 ' A' ' 39' ' ' LEU . 54.5 mttt -115.05 120.46 39.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -124.49 125.16 43.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -68.59 98.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.479 HG21 ' SG ' ' A' ' 16' ' ' CYS . 39.5 t -103.98 138.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.71 139.97 40.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.992 ' HA ' HD12 ' A' ' 55' ' ' ILE . 30.6 m0 -45.43 -28.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -36.41 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -95.18 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.992 HD12 ' HA ' ' A' ' 52' ' ' TRP . 50.1 mt -130.13 105.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -93.14 119.03 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -50.67 136.75 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -161.75 163.8 29.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.76 168.82 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.0 23.74 1.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -100.58 134.76 43.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HD11 ' A' ' 25' ' ' LEU . 5.8 m-85 -85.65 114.17 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 25' ' ' LEU . 6.6 m -129.34 176.22 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 23' ' ' TYR . 26.7 mt -115.17 150.22 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.03 130.11 53.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.66 113.68 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE2' HG22 ' A' ' 19' ' ' THR . 59.3 t-105 -86.82 168.8 13.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 18' ' ' TRP . 3.8 t -61.87 -12.25 16.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -97.39 11.48 36.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.55 68.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.33 150.47 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.545 ' HB3' HD22 ' A' ' 15' ' ' LEU . 81.8 m-85 -108.75 121.07 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.1 m-85 -108.97 129.32 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 13' ' ' TYR . 54.9 tp -74.52 153.37 39.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.45 155.75 26.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -101.45 113.76 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.726 0.298 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.802 HD11 HD22 ' A' ' 8' ' ' LEU . 96.5 mt -55.96 98.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -79.15 -41.79 27.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -132.68 160.24 37.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.638 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.4 t -133.62 115.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -112.94 140.72 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -103.61 -33.98 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -52.94 -37.45 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -113.32 23.18 13.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . 50.0 mt-30 35.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' LYS . 3.0 m -120.55 174.56 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.638 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.1 m -147.4 135.72 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 47' ' ' LYS . 13.5 tp -74.32 92.19 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.3 120.91 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -82.94 98.47 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -60.92 156.4 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 9.9 mp0 -56.89 -14.51 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.25 21.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 53.58 40.16 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 83.4 p -129.84 155.56 45.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 23.7 mttt -115.61 121.61 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 11.2 m-85 -124.39 127.67 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -73.52 97.53 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.83 141.56 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' ASP . 11.8 mt -77.04 138.42 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.416 ' HA ' HD12 ' A' ' 55' ' ' ILE . 42.3 m0 -43.94 -28.95 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -71.51 -37.83 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.9 m-20 -90.52 27.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 52' ' ' TRP . 77.0 mt -123.88 115.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.25 132.46 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -65.82 88.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 28' ' ' ILE . 12.5 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -167.22 164.97 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 9' ' ' THR . 11.9 mt-10 -66.16 172.12 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.22 34.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -109.74 134.99 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -85.22 111.56 19.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -124.56 -179.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 23' ' ' TYR . 15.3 mt -121.41 144.01 48.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.88 133.78 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -85.34 108.68 17.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -82.15 165.47 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -57.87 -26.36 62.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' CB ' HD23 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -88.04 6.86 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.95 16.89 80.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -84.64 156.97 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB3' HD22 ' A' ' 15' ' ' LEU . 35.0 m-85 -119.27 100.44 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.513 ' C ' HD23 ' A' ' 15' ' ' LEU . 72.6 m-85 -90.39 126.6 35.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 14' ' ' VAL . 64.2 tp -77.48 135.8 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.66 154.68 25.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -99.85 126.85 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.757 HD11 HD22 ' A' ' 8' ' ' LEU . 54.8 mt -66.71 98.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.135 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -33.0 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -140.81 156.8 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' SG ' ' A' ' 38' ' ' CYS . 97.0 t -128.18 116.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -104.66 141.34 36.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 95.2 p -103.35 -39.55 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.0 m -37.3 -56.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.8 mtmt -114.71 33.93 5.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 29.1 mp0 35.99 45.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.2 p -115.1 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.556 ' SG ' HG13 ' A' ' 31' ' ' VAL . 35.1 m -150.38 134.54 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 47' ' ' LYS . 16.8 tp -76.03 92.4 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.47 134.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.1 103.7 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -66.88 156.76 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.9 -17.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.81 31.09 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.7 t30 44.62 34.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.1 p -116.43 149.18 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 39' ' ' LEU . 20.0 mtmt -114.51 120.68 41.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.0 m-85 -124.61 122.62 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.4 m95 -67.57 99.56 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' TYR . 12.3 t -110.13 138.62 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' HZ3' ' A' ' 53' ' ' LYS . 6.7 mt -75.83 141.54 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 11.2 m0 -46.09 -28.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 7.9 ptpp? -63.79 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.38 26.82 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -122.78 110.1 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -92.27 136.27 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -74.31 86.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.818 HD22 HD11 ' A' ' 28' ' ' ILE . 14.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -159.21 163.72 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.44 168.2 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.41 26.79 1.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -103.42 135.14 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.934 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 25' ' ' LEU . 16.3 m-85 -86.61 116.31 24.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -130.07 175.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 23' ' ' TYR . 16.4 mt -115.47 151.02 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.1 t -119.88 131.25 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -79.55 128.15 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' NE1' HG22 ' A' ' 19' ' ' THR . 53.5 t-105 -103.46 166.31 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.9 t -57.92 -23.06 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' CB ' HD13 ' A' ' 22' ' ' LEU . 78.4 m-20 -92.04 10.7 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.45 13.94 77.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 20' ' ' ASP . 11.0 mp -83.59 161.86 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.696 ' HB3' HD22 ' A' ' 15' ' ' LEU . 36.4 m-85 -122.27 107.18 11.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.48 ' C ' HD23 ' A' ' 15' ' ' LEU . 32.1 m-85 -95.84 126.44 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 14' ' ' VAL . 54.9 tp -73.94 156.49 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.55 154.04 22.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.4 tttt -102.92 115.28 30.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.818 HD11 HD22 ' A' ' 8' ' ' LEU . 96.2 mt -58.16 99.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -81.31 -41.15 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -130.93 160.29 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.495 HG13 ' SG ' ' A' ' 38' ' ' CYS . 96.0 t -133.35 118.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 p -113.98 140.98 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -106.56 -29.06 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -36.33 71.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.799 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' SER . 23.0 mmtm -118.49 23.83 11.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.5 mt-30 36.86 31.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' LYS . 2.1 m -113.14 174.5 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' A' ' 31' ' ' VAL . 10.8 m -151.58 132.24 13.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.7 tp -72.92 90.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.46 118.95 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 m -82.93 98.41 9.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.38 158.22 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 12.5 mp0 -58.74 -13.82 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.84 29.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.12 44.36 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 32.6 p -131.71 152.82 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HD2' HD21 ' A' ' 39' ' ' LEU . 25.7 mtmm -116.38 121.86 43.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.1 m-85 -125.92 122.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 39.0 m95 -70.11 94.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.6 t -101.47 143.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -80.11 144.64 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.69 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.5 m0 -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -37.49 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.93 33.07 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.8 mt -125.19 107.29 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -94.91 121.88 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -59.03 112.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 15.5 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.5 t -157.86 166.93 31.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -68.86 170.55 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 39.94 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -107.86 134.82 50.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 25' ' ' LEU . 9.9 m-85 -83.65 118.71 24.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG11 HD21 ' A' ' 8' ' ' LEU . 6.7 m -137.66 171.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 23' ' ' TYR . 21.3 mt -106.52 143.94 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.9 130.42 56.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -84.12 112.22 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.5 t-105 -77.6 166.08 23.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.57 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.1 t -48.8 -40.92 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB3' HD23 ' A' ' 22' ' ' LEU . 8.4 t70 -73.76 -20.12 60.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 23.63 7.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.4 mm? -88.89 147.39 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 15' ' ' LEU . 65.4 m-85 -106.25 107.32 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.421 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.3 m-85 -105.4 133.96 49.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' ' 13' ' ' TYR . 67.2 tp -73.95 140.52 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.3 159.4 29.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.72 114.93 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 68.9 mt -59.55 98.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -81.19 -41.51 22.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -131.58 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -117.35 112.06 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -100.72 141.74 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -109.12 -37.19 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -40.42 -53.74 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' GLN . 72.5 mttt -115.26 35.83 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 28.7 mt-30 35.89 42.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.8 p -112.93 171.03 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.0 m -150.66 131.95 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.76 90.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.66 129.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m -93.27 105.03 17.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.87 155.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -50.74 -17.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -90.17 33.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m120 42.96 31.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 19.2 p -112.36 147.32 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -115.28 119.07 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.2 m-85 -123.35 123.64 41.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 28.9 m95 -68.76 98.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.9 t -108.42 142.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.11 141.1 37.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 20.1 m0 -44.74 -32.27 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.92 26.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.79 103.23 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.57 154.0 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -89.16 109.58 20.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.744 HD22 HD11 ' A' ' 28' ' ' ILE . 17.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -159.28 164.98 34.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.6 mt-10 -67.36 169.72 8.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.67 31.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -107.86 134.59 50.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 23.9 m-85 -85.88 121.44 28.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.52 168.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 23' ' ' TYR . 32.6 mt -108.43 141.84 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.6 t -111.13 132.96 53.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -81.49 106.34 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.8 t-105 -71.96 170.52 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.529 HG22 ' CE2' ' A' ' 18' ' ' TRP . 7.1 t -57.58 -33.66 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 2.2 m-20 -81.06 -10.39 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.56 16.29 37.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 20' ' ' ASP . 4.0 mm? -83.99 160.32 21.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.3 m-85 -115.88 111.54 20.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -105.27 131.78 52.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.65 143.64 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.77 147.92 15.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -97.39 113.34 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.744 HD11 HD22 ' A' ' 8' ' ' LEU . 97.0 mt -56.27 98.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -78.42 -42.28 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -134.33 159.37 41.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 38' ' ' CYS . 83.4 t -123.59 110.64 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -95.85 140.51 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.2 p -109.74 -40.83 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 m -39.56 -50.88 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 2.4 mppt? -116.83 36.83 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' LYS . 41.8 mt-30 34.75 42.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.7 m -112.95 175.84 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 31' ' ' VAL . 21.2 m -153.67 129.56 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.0 tp -72.44 92.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.71 134.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 m -95.32 101.97 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.6 166.56 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.8 -15.47 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -90.87 33.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 40.92 29.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -113.99 156.19 24.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -115.96 121.77 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -122.55 124.09 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 25.2 m95 -69.58 97.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.44 143.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 5.9 mt -79.34 138.63 37.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.795 ' HA ' HD12 ' A' ' 55' ' ' ILE . 27.6 m0 -44.04 -30.84 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.5 ptmt -70.94 -37.82 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-20 -90.68 33.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.6 mt -129.53 109.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.4 120.61 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.37 108.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 28' ' ' ILE . 16.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -162.17 165.39 27.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.34 168.01 15.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.31 27.11 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -103.68 134.63 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 20.6 m-85 -84.77 116.49 23.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 m -135.03 168.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 20.0 mt -109.49 145.28 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -114.26 129.78 56.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -83.43 109.01 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 19' ' ' THR . 27.6 t-105 -77.67 169.36 18.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.6 t -57.31 -27.72 62.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.35 -7.83 59.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.04 9.84 63.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.88 145.59 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 70.0 m-85 -104.43 116.61 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.584 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.4 m-85 -108.56 129.26 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 tp -73.82 145.41 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.56 152.62 23.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 57.8 tttt -99.57 114.15 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 90.4 mt -56.9 98.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -79.31 -39.43 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -135.64 160.57 38.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.11 112.04 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 t -95.89 143.81 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -112.61 -41.58 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -40.15 -54.0 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLN . 48.4 mmtt -113.37 36.59 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' LYS . 57.6 mt-30 34.77 41.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.0 m -111.56 175.0 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.1 m -151.98 131.62 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 13.3 tp -73.27 96.48 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -97.82 130.31 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -91.93 99.71 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.74 160.35 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.88 -15.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.23 35.04 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 12.5 t-20 42.25 27.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 16.3 p -109.32 151.7 26.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.9 mtmt -116.93 122.43 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-85 -125.93 126.75 44.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 33.0 m95 -71.74 97.44 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.47 146.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.56 140.69 34.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.1 m0 -46.47 -29.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -95.22 27.41 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.7 mt -120.83 105.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -87.04 140.15 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.38 108.58 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.059 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.6 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -163.33 163.08 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.43 167.38 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 46.3 27.33 2.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -104.29 134.81 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.657 ' HB3' HD11 ' A' ' 25' ' ' LEU . 32.0 m-85 -85.89 116.05 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.46 173.74 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.4 mt -110.55 144.1 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' HG21 ' A' ' 50' ' ' VAL . 79.7 m -113.45 133.21 55.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -85.41 107.49 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.6 t-105 -76.04 166.53 23.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 15.4 t -53.25 -40.4 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' HD23 ' A' ' 22' ' ' LEU . 7.9 t70 -71.6 -22.07 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.79 14.76 16.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.6 mm? -84.09 149.59 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.863 ' HB3' HD22 ' A' ' 15' ' ' LEU . 50.0 m-85 -107.41 102.52 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.9 m-85 -95.6 130.98 42.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 13' ' ' TYR . 55.9 tp -74.21 148.32 41.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.46 154.99 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.2 tttt -103.55 114.31 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.705 0.288 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.546 ' CD1' HD22 ' A' ' 8' ' ' LEU . 80.4 mt -57.98 98.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -41.15 29.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 69.4 ttt180 -131.59 158.38 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.44 117.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 t -102.18 143.91 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -112.07 -40.15 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -40.58 -53.89 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 19.6 mmtp -114.18 35.94 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 42.1 mt-30 36.23 39.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 m -106.17 177.82 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 m -159.17 131.04 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 47' ' ' LYS . 15.0 tp -72.68 99.16 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.11 118.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -82.88 98.43 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 2.9 m-85 -59.8 178.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.88 -16.15 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' OD1' ' CB ' ' A' ' 42' ' ' PHE . 17.1 p-10 -91.66 37.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m120 39.66 44.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.3 p -126.75 149.08 49.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.637 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.4 mtmp? -113.13 115.99 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.6 m-85 -121.19 123.49 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 61.7 m95 -72.87 98.48 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.484 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.6 t -105.74 144.26 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.44 146.51 40.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.6 m0 -50.67 -24.8 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -75.24 -32.77 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' HB2' HG12 ' A' ' 50' ' ' VAL . 47.7 m-20 -95.67 27.62 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.0 mt -125.69 100.12 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -51.35 122.82 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 28' ' ' ILE . 14.3 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.7 t -156.64 162.99 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -67.74 169.79 9.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.6 28.06 0.98 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -104.33 134.69 47.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.741 ' HB3' HD11 ' A' ' 25' ' ' LEU . 3.9 m-85 -85.53 113.47 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.8 m -127.06 179.09 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 mt -118.11 145.73 44.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -121.0 129.55 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -82.03 115.25 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE2' HG22 ' A' ' 19' ' ' THR . 45.3 t-105 -86.49 164.23 17.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.486 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.7 t -51.67 -40.55 60.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' N ' HG23 ' A' ' 19' ' ' THR . 61.7 m-20 -62.6 -22.55 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.06 23.32 9.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.79 159.47 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -112.57 117.6 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.48 132.57 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 13' ' ' TYR . 44.9 tp -76.79 142.87 40.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.78 154.24 25.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.7 ttpt -99.93 116.25 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 8' ' ' LEU . 96.8 mt -57.6 99.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.39 -38.28 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -138.2 145.88 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.57 HG13 ' SG ' ' A' ' 38' ' ' CYS . 93.9 t -117.48 116.95 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 140.87 39.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' SER . 90.3 p -104.82 -38.87 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' SER . 30.2 m -37.51 -55.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' GLN . 14.4 mttp -114.28 36.05 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 21.9 mp0 34.61 43.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -113.75 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.57 ' SG ' HG13 ' A' ' 31' ' ' VAL . 57.3 m -154.93 131.67 10.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.02 91.67 2.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.3 125.13 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -86.08 101.13 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.74 152.3 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -51.3 -17.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.31 24.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m120 50.78 34.34 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 p -122.92 159.16 28.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -118.95 123.54 44.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -124.54 126.31 45.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.94 100.02 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.61 148.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.63 141.74 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.7 m0 -46.5 -20.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -75.03 -37.8 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.33 28.96 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 52' ' ' TRP . 83.6 mt -125.07 109.5 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -94.89 121.62 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -58.57 102.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.04 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.923 HD22 HD11 ' A' ' 28' ' ' ILE . 8.2 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -158.67 163.03 37.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.3 mt-10 -65.45 171.38 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.55 31.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -107.83 134.57 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.681 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.9 m-85 -84.78 119.31 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.505 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.9 m -137.12 177.34 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 58' ' ' ALA . 16.2 mt -113.66 142.41 46.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.5 m -121.5 122.64 40.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 12.4 ttt180 -80.57 112.21 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 19' ' ' THR . 39.0 t-105 -81.53 165.26 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -52.27 -38.15 57.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -22.88 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.26 8.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.9 mt -119.62 141.33 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 15' ' ' LEU . 63.7 m-85 -93.46 126.51 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.538 ' C ' HD23 ' A' ' 15' ' ' LEU . 74.8 m-85 -115.75 138.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 13' ' ' TYR . 64.2 tp -74.72 154.95 38.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 154.17 21.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HE3' ' CA ' ' A' ' 11' ' ' GLY . 58.0 tttt -101.2 113.76 27.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 HD22 ' A' ' 8' ' ' LEU . 93.9 mt -57.23 100.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -81.71 -39.23 24.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -134.12 162.53 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG13 ' SG ' ' A' ' 38' ' ' CYS . 99.2 t -132.62 112.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 140.42 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -109.12 -30.61 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.5 m -44.49 -48.5 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' GLN . 53.4 mttt -118.86 32.69 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.6 mt-30 38.07 46.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 m -119.52 175.63 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 31' ' ' VAL . 14.7 m -156.35 130.55 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.614 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.3 tp -72.4 91.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.49 125.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -88.01 99.33 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.35 162.93 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 5.5 mp0 -59.55 -18.38 40.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.31 29.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m120 47.58 35.84 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 27.7 p -120.0 149.12 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.4 mtmt -115.9 121.79 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -126.31 125.56 42.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -69.51 99.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.505 HG21 ' SG ' ' A' ' 16' ' ' CYS . 21.9 t -105.73 147.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 9.7 mt -79.45 138.25 37.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.3 m0 -43.92 -32.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -37.72 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . 76.9 m-20 -89.76 29.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 52' ' ' TRP . 95.0 mt -126.49 103.05 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 1.7 tm0? -90.06 127.99 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.405 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 14.1 m170 -60.85 93.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 28' ' ' ILE . 13.1 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 4.8 t -157.53 172.46 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -73.76 170.8 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.93 33.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -107.56 134.61 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.855 ' HB3' HD11 ' A' ' 25' ' ' LEU . 12.1 m-85 -85.48 122.18 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.13 173.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 23' ' ' TYR . 28.4 mt -108.68 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 50' ' ' VAL . 72.9 m -112.35 133.09 54.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -86.24 103.17 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.699 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.6 t-105 -71.69 163.3 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.699 HG22 ' CE2' ' A' ' 18' ' ' TRP . 5.7 t -50.42 -40.0 48.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' HD23 ' A' ' 22' ' ' LEU . 4.6 m-20 -71.76 -18.88 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.28 32.96 5.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.7 mm? -99.22 154.09 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.5 m-85 -113.42 99.17 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 87.1 m-85 -99.66 134.51 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 13' ' ' TYR . 37.9 tp -76.6 141.89 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' H ' HD12 ' A' ' 25' ' ' LEU . . . -157.37 156.88 27.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 64.7 tttt -102.16 119.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 8' ' ' LEU . 96.0 mt -61.59 98.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -75.32 -41.91 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -134.46 162.12 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -130.72 117.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -106.38 142.0 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -107.97 -35.94 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -47.36 -44.57 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.8 mttt -119.2 31.87 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' LYS . 36.8 mt-30 34.44 40.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 p -113.55 171.48 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.6 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.0 m -149.85 130.64 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.2 tp -72.56 91.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.95 137.7 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -99.74 109.87 22.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -74.71 157.27 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.64 -18.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.57 36.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 38.86 37.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.0 p -118.29 149.91 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.5 mtmt -116.48 122.2 44.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -125.97 125.22 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -67.8 95.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 16' ' ' CYS . 82.5 t -103.21 128.9 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.79 141.24 53.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 55' ' ' ILE . 24.7 m0 -45.96 -32.26 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -63.69 -37.53 87.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.32 31.79 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.5 mt -125.43 110.72 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -94.63 138.12 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -75.06 98.44 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.89 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.6 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -158.15 162.81 37.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 9' ' ' THR . 22.1 mt-10 -67.0 169.28 8.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.05 30.5 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -106.7 135.22 48.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 3.8 m-85 -86.79 112.28 21.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.664 ' O ' HD12 ' A' ' 25' ' ' LEU . 12.6 m -128.56 -179.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.7 mt -117.95 151.67 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 50' ' ' VAL . 13.9 t -129.35 125.03 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 11.7 tpt180 -71.14 140.92 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -111.32 166.98 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -57.18 -29.56 63.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.83 -9.78 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.69 31.29 13.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.88 148.47 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.0 m-85 -100.91 122.85 44.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' C ' HD23 ' A' ' 15' ' ' LEU . 44.4 m-85 -108.39 132.92 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 14' ' ' VAL . 42.3 tp -73.7 146.86 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -164.77 144.72 9.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 9.7 ttpt -94.27 117.36 30.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.89 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.4 mt -61.26 98.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -41.43 32.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -131.26 160.82 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 ' SG ' ' A' ' 38' ' ' CYS . 86.4 t -132.66 118.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.53 141.44 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.9 p -105.38 -25.83 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -49.61 -58.17 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 35.47 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 41.2 mt-30 37.22 41.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.8 p -111.87 173.6 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' HG13 ' A' ' 31' ' ' VAL . 36.0 m -152.97 134.11 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.92 92.06 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.4 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.1 t -90.56 134.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.0 104.51 16.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -68.05 154.83 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.56 -17.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.67 31.44 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 45.06 31.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 45.0 p -113.45 150.0 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -116.67 122.34 44.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.5 m-85 -126.04 129.07 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -74.07 96.85 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG21 ' SG ' ' A' ' 16' ' ' CYS . 18.2 t -106.19 143.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.41 142.43 34.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.4 m0 -47.04 -23.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.55 -37.8 74.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -98.23 25.71 5.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.16 102.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -86.49 145.37 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -81.67 98.38 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.89 162.76 29.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 19.8 mt-10 -65.81 172.21 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.74 29.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.726 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.74 135.61 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 14.2 m-85 -86.82 115.33 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 8' ' ' LEU . 12.1 m -129.33 171.44 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.3 mt -113.5 140.92 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -107.73 131.54 54.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -84.65 111.9 19.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -86.53 162.09 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -56.08 -19.22 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.01 13.56 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.45 70.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.31 160.98 15.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.7 m-85 -122.17 110.03 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 96.7 m-85 -101.57 130.32 47.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -74.28 152.8 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.449 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -169.2 147.45 11.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -96.91 115.17 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 12' ' ' GLN . 56.9 mt -60.15 98.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -83.35 -39.64 20.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 29.8 ttp180 -131.26 152.76 50.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 ' SG ' ' A' ' 38' ' ' CYS . 98.7 t -121.57 113.1 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 t -98.51 141.59 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.2 p -108.56 -40.95 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -38.14 -53.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.3 mmtp -115.88 36.61 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 75.9 mt-30 34.61 41.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -108.35 179.99 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.445 ' SG ' HG13 ' A' ' 31' ' ' VAL . 6.6 m -157.59 132.37 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.7 tp -74.75 90.49 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.4 t -91.06 122.98 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 m -85.39 99.01 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -62.37 163.73 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.75 -11.16 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.88 26.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.5 29.35 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -117.55 165.64 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -124.76 123.31 39.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -125.99 123.01 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 55.3 m95 -71.68 96.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.5 t -102.41 144.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 mt -79.92 139.92 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.712 ' HA ' HD12 ' A' ' 55' ' ' ILE . 31.1 m0 -46.4 -31.8 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -62.76 -36.19 82.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -101.62 27.72 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 52' ' ' TRP . 87.0 mt -119.14 103.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.62 143.01 27.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -80.96 86.88 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -145.25 165.24 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -99.8 -53.76 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.56 43.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 t -118.36 114.45 22.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 p -170.39 158.71 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.09 130.18 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 14.6 mt -70.36 173.41 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.922 0.392 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.64 162.88 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.9 mt-10 -66.43 173.92 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.68 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.46 134.63 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 18.6 m-85 -84.85 116.1 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 m -134.61 168.24 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 23' ' ' TYR . 15.7 mt -104.44 143.99 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 50' ' ' VAL . 90.4 m -113.98 128.65 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.25 106.15 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.572 ' CE2' HG22 ' A' ' 19' ' ' THR . 44.7 t-105 -77.49 162.13 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.8 t -48.66 -44.0 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' THR . 85.2 m-20 -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.69 20.4 10.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.6 mm? -91.94 154.27 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' C ' HD22 ' A' ' 15' ' ' LEU . 50.6 m-85 -111.44 98.1 7.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' C ' HD23 ' A' ' 15' ' ' LEU . 91.7 m-85 -94.19 134.69 36.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.403 HD21 ' HD2' ' A' ' 13' ' ' TYR . 33.7 tp -75.96 150.01 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.34 155.68 27.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 73.3 tttt -104.8 113.65 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 80.1 mt -56.28 98.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -78.77 -41.85 29.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -132.6 163.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -134.39 116.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.27 140.2 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' SER . 82.6 p -102.08 -39.49 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' SER . 71.2 m -37.18 -59.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.6 mmtp -110.87 35.66 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 78.7 mt-30 34.53 43.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.7 p -111.83 176.94 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' HG13 ' A' ' 31' ' ' VAL . 49.0 m -158.02 131.12 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 47' ' ' LYS . 13.8 tp -73.31 91.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.26 128.83 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 m -91.55 99.38 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.18 167.82 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.82 -10.99 15.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.86 34.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 40.93 30.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -116.24 157.04 25.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.799 ' HD2' HD21 ' A' ' 39' ' ' LEU . 6.7 mtmp? -118.22 123.14 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -124.51 125.81 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -71.29 95.26 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.414 HG21 ' SG ' ' A' ' 16' ' ' CYS . 15.2 t -105.9 136.69 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.01 143.39 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 16.7 m0 -47.49 -25.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 3.2 ptmt -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 62.2 m-20 -98.76 27.78 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -122.62 105.52 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -90.59 153.18 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -87.03 97.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 139.08 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.06 -133.57 4.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -96.21 144.34 27.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.566 0.698 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.64 12.42 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.08 136.72 9.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.874 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -137.52 133.29 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 t -102.22 -55.31 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.28 -145.58 44.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -99.11 171.5 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -97.81 -47.06 5.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.03 126.69 0.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.657 HD22 ' CD1' ' A' ' 28' ' ' ILE . 15.2 mt -78.36 170.51 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.15 162.67 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' THR . 15.8 mt-10 -66.86 172.36 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 42.43 24.87 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -101.98 135.09 44.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 8.2 m-85 -85.31 122.32 29.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.3 m -139.49 174.51 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 17.8 mt -111.51 141.47 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.876 ' SG ' HG21 ' A' ' 50' ' ' VAL . 85.4 m -112.7 125.48 54.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -81.48 102.97 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' HG22 ' A' ' 19' ' ' THR . 31.0 t-105 -71.95 165.68 23.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.4 t -51.97 -36.83 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.713 ' HB3' HD23 ' A' ' 22' ' ' LEU . 5.1 t70 -72.48 -18.28 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.02 17.15 28.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.5 mm? -88.76 146.72 24.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.1 m-85 -104.17 107.5 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.517 ' C ' HD23 ' A' ' 15' ' ' LEU . 89.9 m-85 -104.27 136.63 43.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 14' ' ' VAL . 20.3 tp -74.91 152.35 38.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.15 152.97 21.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -102.97 113.29 26.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.657 ' CD1' HD22 ' A' ' 8' ' ' LEU . 75.4 mt -56.14 99.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.22 -36.55 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 21.1 ttm180 -140.25 153.95 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -124.54 117.76 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -111.7 141.07 45.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -108.63 -32.14 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -42.3 -47.87 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -118.91 32.79 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LYS . 18.5 mp0 37.56 47.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -123.11 179.0 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 m -158.29 130.89 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -72.64 90.96 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -92.35 126.45 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.5 m -87.82 99.84 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.76 171.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.38 -13.95 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' SER . 20.1 m-20 -92.77 36.1 1.03 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 41.0 26.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ASP . 63.1 p -109.94 158.61 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -120.39 124.0 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -125.69 124.99 42.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CE2' HD13 ' A' ' 39' ' ' LEU . 43.4 m95 -70.54 94.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.876 HG21 ' SG ' ' A' ' 16' ' ' CYS . 14.2 t -98.41 148.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.8 mt -81.83 138.53 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.58 ' HA ' HD12 ' A' ' 55' ' ' ILE . 35.8 m0 -42.85 -30.03 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -37.81 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LEU . 83.2 m-20 -87.49 26.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -123.05 101.84 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -57.75 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 167.05 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.14 -176.48 30.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.43 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 m -55.75 145.55 51.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 179.08 3.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -114.24 -117.22 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -138.03 149.15 45.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -77.95 113.07 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -102.32 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -86.05 91.87 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -121.11 -57.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.42 -111.24 0.45 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.0 mt -53.19 164.36 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.3 t -159.06 162.44 36.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -65.58 172.1 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.33 28.33 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -105.76 135.31 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.1 m-85 -87.52 115.38 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.468 HG11 HD21 ' A' ' 8' ' ' LEU . 10.9 m -130.24 173.09 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -111.71 150.33 30.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -122.94 124.74 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -80.28 110.53 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 32.2 t-105 -78.69 170.49 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -60.74 -16.76 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -95.48 3.3 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.6 3.56 90.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.5 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -89.47 132.43 35.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -120.79 134.21 55.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 13' ' ' TYR . 30.1 tp -74.65 152.33 39.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -168.14 145.09 9.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -94.52 112.95 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.708 ' CD1' HD22 ' A' ' 8' ' ' LEU . 92.3 mt -57.44 100.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -83.87 -33.28 24.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 40.4 ttt180 -137.4 160.93 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.19 110.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -92.64 141.75 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -112.24 -37.29 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.3 m -44.87 -50.35 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.03 27.08 9.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 80.3 mt-30 44.1 37.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -105.33 -179.59 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.2 130.24 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.565 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.0 tp -73.7 93.64 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.2 t -93.14 123.08 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 m -84.49 100.57 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.36 153.93 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.66 -16.04 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.18 27.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 48.78 37.89 10.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 p -127.65 156.79 41.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -117.99 122.82 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.3 m-85 -123.5 124.35 42.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 21.9 m95 -70.27 97.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 48' ' ' TYR . 3.4 t -105.81 141.37 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -78.99 142.14 36.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 28.8 m0 -46.57 -33.56 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -64.29 -35.13 79.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.06 25.04 6.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 52' ' ' TRP . 93.0 mt -121.33 114.42 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -97.17 147.17 24.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.425 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 m170 -82.55 99.1 9.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.41 109.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.82 140.97 8.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.1 m -66.48 145.5 98.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.25 36.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.95 121.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -48.56 -53.41 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -62.09 157.5 18.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.81 71.24 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -77.55 125.1 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -82.15 149.0 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.18 -97.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt -55.49 172.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -161.0 162.79 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -64.96 172.11 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.19 28.26 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -105.79 136.0 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.9 m-85 -86.24 120.9 28.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 8' ' ' LEU . 15.0 m -140.42 172.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.1 mt -103.66 147.54 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.0 m -116.88 121.05 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -78.86 104.95 9.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 19' ' ' THR . 60.7 t-105 -78.58 167.52 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 20' ' ' ASP . 13.4 t -58.88 -21.25 56.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.645 ' CB ' HD23 ' A' ' 22' ' ' LEU . 1.4 m-20 -91.08 6.71 43.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.55 16.65 80.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 20' ' ' ASP . 2.2 mm? -91.68 141.83 28.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.719 ' HB3' HD22 ' A' ' 15' ' ' LEU . 47.6 m-85 -103.65 114.53 28.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 94.1 m-85 -108.5 131.17 55.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 13' ' ' TYR . 63.0 tp -75.43 138.83 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.19 153.53 24.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.49 113.87 25.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 8' ' ' LEU . 81.3 mt -56.55 98.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HE3' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -77.71 -42.09 35.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -132.42 162.39 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.77 111.05 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -93.61 144.58 25.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -117.09 -40.81 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -43.61 -48.24 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 13.4 mptt -116.99 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 44.7 mt-30 36.71 45.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -116.03 173.31 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.8 m -151.18 130.98 13.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD23 ' HE3' ' A' ' 29' ' ' LYS . 12.8 tp -74.2 96.55 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.19 128.11 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 m -89.36 98.68 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.78 161.12 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -58.65 -11.8 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -92.05 32.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 43.54 33.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -119.33 157.58 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -121.65 122.85 40.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.67 137.93 54.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 14.3 m95 -81.08 96.9 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG21 ' SG ' ' A' ' 16' ' ' CYS . 17.3 t -105.19 140.79 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.69 144.07 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.797 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.7 m0 -47.87 -32.79 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.92 -32.28 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -98.12 32.29 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 52' ' ' TRP . 63.0 mt -130.26 113.05 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -93.75 149.02 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -83.53 94.87 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.11 106.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.52 168.69 38.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 m -76.19 144.36 74.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 165.18 31.81 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.64 129.33 3.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -171.44 171.1 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.382 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -92.54 -61.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.91 66.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 34.3 p -60.47 144.59 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.4 m -38.35 152.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.33 -123.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.7 mt -65.7 168.47 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.91 163.96 31.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.5 mt-10 -67.74 172.89 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 27' ' ' LYS . . . 39.55 30.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.41 135.24 48.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' A' ' 25' ' ' LEU . 3.4 m-30 -82.2 116.51 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 m -134.4 172.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.91 148.25 38.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.02 131.57 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -80.46 108.71 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -78.78 170.12 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 t -64.96 -17.19 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -95.56 6.95 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.88 18.42 77.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.07 160.23 15.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.77 107.51 12.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -99.42 133.97 42.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 13' ' ' TYR . 17.5 tp -73.64 148.84 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 40' ' ' VAL . . . -162.32 145.06 10.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' CE ' ' HA2' ' A' ' 11' ' ' GLY . 65.4 tttt -96.14 110.62 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 8' ' ' LEU . 81.3 mt -54.99 98.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -39.69 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -130.62 147.12 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -119.94 109.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 2.3 t -97.08 140.92 30.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -103.61 -43.14 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -40.42 -62.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' GLN . 4.0 mmpt? -100.08 31.65 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 49.2 mt-30 34.38 37.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 81.1 p -107.91 178.36 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 m -155.64 131.07 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.41 93.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HA3' ' A' ' 26' ' ' GLY . 1.5 t -91.43 128.76 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 m -90.9 102.52 15.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.54 155.03 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.4 -16.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.1 31.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 44.73 36.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -121.81 153.94 37.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -118.37 123.28 44.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.4 m-85 -127.81 124.79 38.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.0 m95 -69.17 104.51 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 48' ' ' TYR . 18.6 t -113.4 140.05 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.3 mt -75.61 139.04 41.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.3 m0 -44.16 -31.85 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.4 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' LEU . 23.3 m-20 -92.3 29.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 52' ' ' TRP . 91.0 mt -124.28 104.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -87.9 125.17 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.64 104.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.36 99.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.43 140.45 9.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.82 144.61 1.82 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 149.15 66.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.34 -104.95 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -152.97 174.64 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -154.7 172.68 17.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 -174.63 5.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -91.17 42.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -95.37 121.46 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.85 -114.64 0.46 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.686 HD22 ' CD1' ' A' ' 28' ' ' ILE . 14.9 mt -54.35 170.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -161.65 163.04 30.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' THR . 13.0 mt-10 -65.76 172.52 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.13 30.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.65 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -107.7 134.74 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 25' ' ' LEU . 8.4 m-85 -83.32 120.77 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 m -142.9 166.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -100.06 148.04 24.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' HG21 ' A' ' 50' ' ' VAL . 96.0 m -120.19 132.94 55.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.93 104.22 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.428 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.1 t-105 -72.21 170.41 14.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 HG22 ' CE2' ' A' ' 18' ' ' TRP . 4.9 t -60.37 -19.36 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' A' ' 22' ' ' LEU . 2.7 m-20 -93.57 2.47 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.21 16.22 76.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -90.48 145.16 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -103.26 114.72 29.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.482 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 99.4 m-85 -109.45 134.71 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 13' ' ' TYR . 21.3 tp -78.41 128.02 33.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.58 162.85 27.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -104.58 114.43 28.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.686 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.1 mt -59.33 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.96 -36.75 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 42.3 ttt180 -134.95 160.44 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -127.68 105.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -88.74 142.97 27.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -112.99 -41.84 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 m -39.24 -55.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -113.35 36.54 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' LYS . 53.0 mt-30 36.02 45.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -153.21 131.07 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -73.47 95.3 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.59 125.62 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 m -86.3 105.25 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.4 m-85 -68.86 161.98 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.47 -15.2 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.82 33.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 42.84 33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 p -119.5 160.52 22.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HD2' HD21 ' A' ' 39' ' ' LEU . 21.8 mtmt -124.04 126.86 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.6 m-85 -129.66 123.26 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 49.6 m95 -68.42 95.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.507 HG21 ' SG ' ' A' ' 16' ' ' CYS . 12.2 t -102.54 142.49 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' HZ2' ' A' ' 53' ' ' LYS . 13.2 mt -74.78 141.86 44.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.673 ' HA ' HD12 ' A' ' 55' ' ' ILE . 33.2 m0 -45.9 -33.88 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HZ2' HD12 ' A' ' 51' ' ' LEU . 2.3 ptmm? -67.71 -35.62 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.5 m-20 -77.71 -21.92 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 52' ' ' TRP . 24.7 mt -82.05 132.37 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -119.36 121.91 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -51.52 110.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.64 155.24 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.17 157.38 19.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 m -47.96 148.03 3.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.95 7.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.6 165.33 40.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.887 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -160.47 130.47 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -111.34 172.52 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.61 69.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -66.79 143.04 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -59.8 106.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.41 -101.31 2.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.749 HD22 HD11 ' A' ' 28' ' ' ILE . 13.3 mt -72.5 167.21 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.6 t -159.59 167.08 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 11.1 mt-10 -69.22 173.21 5.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.32 31.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' NE2' ' N ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -107.72 134.56 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 7.1 m-85 -85.33 114.26 22.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 8' ' ' LEU . 15.9 m -130.28 174.93 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' TYR . 34.4 mt -110.35 149.48 30.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -117.71 132.91 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -82.31 109.21 16.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.49 ' NE1' HG22 ' A' ' 19' ' ' THR . 30.6 t-105 -74.0 168.26 19.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.49 HG22 ' NE1' ' A' ' 18' ' ' TRP . 14.7 t -53.2 -43.38 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 19' ' ' THR . 5.1 t70 -73.33 -22.22 60.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.78 22.05 6.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 20' ' ' ASP . 3.9 mm? -83.61 161.82 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 15' ' ' LEU . 52.8 m-85 -120.48 102.02 8.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -97.44 133.49 41.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 13' ' ' TYR . 25.0 tp -76.99 145.33 38.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.5 149.54 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.2 ttpt -97.1 116.77 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.749 HD11 HD22 ' A' ' 8' ' ' LEU . 82.3 mt -58.59 99.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -77.04 -41.63 41.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -135.12 162.4 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.2 t -131.06 114.72 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -102.44 140.58 36.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.0 p -106.29 -26.89 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 m -49.53 -53.91 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.9 mttt -116.26 37.39 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 50.2 mt-30 35.75 39.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -109.29 177.5 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.598 ' SG ' HG13 ' A' ' 31' ' ' VAL . 23.3 m -157.36 132.11 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD21 ' HD3' ' A' ' 47' ' ' LYS . 14.1 tp -74.56 91.87 2.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -90.45 135.07 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.2 m -97.59 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.18 161.58 26.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -56.71 -16.49 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.14 31.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 42.99 37.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -122.53 156.76 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 39' ' ' LEU . 66.7 mttt -118.67 123.36 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.1 m-85 -123.8 123.37 40.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CE2' HD13 ' A' ' 39' ' ' LEU . 29.6 m95 -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.7 t -108.25 149.74 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ASP . 13.0 mt -85.6 140.84 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 21.6 m0 -45.64 -25.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.9 ptmt -74.03 -36.72 64.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 71.0 m-20 -92.71 28.22 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.2 mt -124.92 108.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -90.92 113.31 25.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -45.77 120.58 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . -100.42 143.94 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.16 4.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.07 146.52 97.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.73 18.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.28 94.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -88.95 134.99 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -115.23 153.42 30.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -55.63 29.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -72.28 114.96 10.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -87.91 141.34 28.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.27 -98.5 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.726 HD22 HD11 ' A' ' 28' ' ' ILE . 15.6 mt -64.52 170.51 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -159.35 163.66 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -66.15 171.46 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.18 29.57 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.517 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -106.33 135.05 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.717 ' HB3' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -84.61 118.86 24.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 8' ' ' LEU . 11.2 m -137.39 170.34 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 23' ' ' TYR . 13.6 mt -106.19 140.68 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 50' ' ' VAL . 84.0 m -110.84 132.2 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -85.17 110.14 18.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.411 ' CE2' HG22 ' A' ' 19' ' ' THR . 28.7 t-105 -79.79 168.28 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 18' ' ' TRP . 10.0 t -59.64 -25.95 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -88.8 5.57 42.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 30.05 56.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.62 152.86 19.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.695 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.4 m-85 -113.21 107.43 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.5 m-85 -103.15 129.02 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 13' ' ' TYR . 40.7 tp -74.31 134.47 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.18 156.83 26.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 tttt -102.15 111.62 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.726 HD11 HD22 ' A' ' 8' ' ' LEU . 70.9 mt -54.35 100.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -81.02 -39.91 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 48.1 ttt85 -134.68 156.99 47.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 38' ' ' CYS . 57.5 t -128.2 122.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 p -113.57 141.04 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.7 p -106.47 -40.18 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 m -46.43 -44.81 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . 31.3 mtmt -111.31 23.87 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 46.2 mt-30 37.77 33.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -109.19 -177.74 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 31' ' ' VAL . 11.7 m -158.99 130.54 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD21 ' HD3' ' A' ' 47' ' ' LYS . 13.9 tp -73.58 90.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.55 129.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -91.51 107.7 19.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -70.44 161.77 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -55.06 -15.74 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.58 36.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.0 36.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.4 p -117.27 149.35 40.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.568 ' HD3' HD21 ' A' ' 39' ' ' LEU . 54.5 mttt -115.05 120.46 39.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -124.49 125.16 43.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -68.59 98.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG21 ' SG ' ' A' ' 16' ' ' CYS . 39.5 t -103.98 138.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.71 139.97 40.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.992 ' HA ' HD12 ' A' ' 55' ' ' ILE . 30.6 m0 -45.43 -28.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -36.41 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -95.18 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.992 HD12 ' HA ' ' A' ' 52' ' ' TRP . 50.1 mt -130.13 105.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -93.14 119.03 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -50.67 136.75 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.86 168.69 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.92 -149.29 7.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -54.1 144.3 39.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.48 2.82 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' GLU . . . 126.78 166.16 12.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' GLY . 3.4 pm0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.2 m 36.48 42.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -120.04 118.25 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.69 112.51 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -87.51 139.97 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -111.6 -47.47 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 122.32 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt -66.44 174.87 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -161.75 163.8 29.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.76 168.82 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.0 23.74 1.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -100.58 134.76 43.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HD11 ' A' ' 25' ' ' LEU . 5.8 m-85 -85.65 114.17 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 25' ' ' LEU . 6.6 m -129.34 176.22 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 23' ' ' TYR . 26.7 mt -115.17 150.22 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.03 130.11 53.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.66 113.68 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE2' HG22 ' A' ' 19' ' ' THR . 59.3 t-105 -86.82 168.8 13.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 18' ' ' TRP . 3.8 t -61.87 -12.25 16.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -97.39 11.48 36.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.55 68.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.33 150.47 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.545 ' HB3' HD22 ' A' ' 15' ' ' LEU . 81.8 m-85 -108.75 121.07 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.1 m-85 -108.97 129.32 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 13' ' ' TYR . 54.9 tp -74.52 153.37 39.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.45 155.75 26.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -101.45 113.76 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.726 0.298 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.802 HD11 HD22 ' A' ' 8' ' ' LEU . 96.5 mt -55.96 98.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -79.15 -41.79 27.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -132.68 160.24 37.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.638 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.4 t -133.62 115.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -112.94 140.72 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -103.61 -33.98 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -52.94 -37.45 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -113.32 23.18 13.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . 50.0 mt-30 35.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' LYS . 3.0 m -120.55 174.56 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.638 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.1 m -147.4 135.72 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 47' ' ' LYS . 13.5 tp -74.32 92.19 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.3 120.91 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -82.94 98.47 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -60.92 156.4 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 9.9 mp0 -56.89 -14.51 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.25 21.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 53.58 40.16 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 83.4 p -129.84 155.56 45.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 23.7 mttt -115.61 121.61 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 11.2 m-85 -124.39 127.67 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -73.52 97.53 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.83 141.56 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' ASP . 11.8 mt -77.04 138.42 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.416 ' HA ' HD12 ' A' ' 55' ' ' ILE . 42.3 m0 -43.94 -28.95 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -71.51 -37.83 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.9 m-20 -90.52 27.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 52' ' ' TRP . 77.0 mt -123.88 115.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.25 132.46 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -65.82 88.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.56 104.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -107.12 167.51 13.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.42 145.33 63.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.38 37.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.399 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.26 165.22 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -39.67 150.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -99.77 127.76 45.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.4 59.11 0.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -115.51 170.46 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -84.52 168.4 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.82 -102.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 28' ' ' ILE . 12.5 mt -57.57 167.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -167.22 164.97 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 9' ' ' THR . 11.9 mt-10 -66.16 172.12 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.22 34.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -109.74 134.99 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -85.22 111.56 19.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -124.56 -179.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 23' ' ' TYR . 15.3 mt -121.41 144.01 48.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.88 133.78 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -85.34 108.68 17.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -82.15 165.47 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -57.87 -26.36 62.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' CB ' HD23 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -88.04 6.86 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.95 16.89 80.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -84.64 156.97 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB3' HD22 ' A' ' 15' ' ' LEU . 35.0 m-85 -119.27 100.44 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' C ' HD23 ' A' ' 15' ' ' LEU . 72.6 m-85 -90.39 126.6 35.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 14' ' ' VAL . 64.2 tp -77.48 135.8 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.66 154.68 25.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -99.85 126.85 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.757 HD11 HD22 ' A' ' 8' ' ' LEU . 54.8 mt -66.71 98.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.135 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -33.0 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -140.81 156.8 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' SG ' ' A' ' 38' ' ' CYS . 97.0 t -128.18 116.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -104.66 141.34 36.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 95.2 p -103.35 -39.55 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.0 m -37.3 -56.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.8 mtmt -114.71 33.93 5.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 29.1 mp0 35.99 45.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.2 p -115.1 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.556 ' SG ' HG13 ' A' ' 31' ' ' VAL . 35.1 m -150.38 134.54 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 47' ' ' LYS . 16.8 tp -76.03 92.4 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.47 134.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.1 103.7 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -66.88 156.76 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.9 -17.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.81 31.09 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.7 t30 44.62 34.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.1 p -116.43 149.18 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 39' ' ' LEU . 20.0 mtmt -114.51 120.68 41.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.0 m-85 -124.61 122.62 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.4 m95 -67.57 99.56 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' TYR . 12.3 t -110.13 138.62 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' HZ3' ' A' ' 53' ' ' LYS . 6.7 mt -75.83 141.54 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 11.2 m0 -46.09 -28.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 7.9 ptpp? -63.79 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.38 26.82 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -122.78 110.1 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -92.27 136.27 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -74.31 86.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . -49.05 157.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.45 -164.13 28.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.28 151.22 69.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.4 Cg_endo -69.76 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.8 131.07 0.56 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -148.74 112.68 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -101.2 141.82 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.0 78.77 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -110.57 105.91 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 m -87.03 -50.38 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.3 131.69 4.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.818 HD22 HD11 ' A' ' 28' ' ' ILE . 14.1 mt -68.27 169.43 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -159.21 163.72 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.44 168.2 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.41 26.79 1.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -103.42 135.14 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.934 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 25' ' ' LEU . 16.3 m-85 -86.61 116.31 24.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -130.07 175.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 23' ' ' TYR . 16.4 mt -115.47 151.02 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.1 t -119.88 131.25 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -79.55 128.15 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' NE1' HG22 ' A' ' 19' ' ' THR . 53.5 t-105 -103.46 166.31 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.9 t -57.92 -23.06 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' CB ' HD13 ' A' ' 22' ' ' LEU . 78.4 m-20 -92.04 10.7 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.45 13.94 77.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 20' ' ' ASP . 11.0 mp -83.59 161.86 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.696 ' HB3' HD22 ' A' ' 15' ' ' LEU . 36.4 m-85 -122.27 107.18 11.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.48 ' C ' HD23 ' A' ' 15' ' ' LEU . 32.1 m-85 -95.84 126.44 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 14' ' ' VAL . 54.9 tp -73.94 156.49 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.55 154.04 22.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.4 tttt -102.92 115.28 30.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.818 HD11 HD22 ' A' ' 8' ' ' LEU . 96.2 mt -58.16 99.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -81.31 -41.15 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -130.93 160.29 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG13 ' SG ' ' A' ' 38' ' ' CYS . 96.0 t -133.35 118.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 p -113.98 140.98 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -106.56 -29.06 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -36.33 71.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.799 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' SER . 23.0 mmtm -118.49 23.83 11.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.5 mt-30 36.86 31.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' LYS . 2.1 m -113.14 174.5 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' A' ' 31' ' ' VAL . 10.8 m -151.58 132.24 13.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.7 tp -72.92 90.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.46 118.95 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 m -82.93 98.41 9.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.38 158.22 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 12.5 mp0 -58.74 -13.82 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.84 29.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.12 44.36 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 32.6 p -131.71 152.82 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HD2' HD21 ' A' ' 39' ' ' LEU . 25.7 mtmm -116.38 121.86 43.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.1 m-85 -125.92 122.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 39.0 m95 -70.11 94.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.6 t -101.47 143.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -80.11 144.64 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.69 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.5 m0 -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -37.49 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.93 33.07 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.8 mt -125.19 107.29 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -94.91 121.88 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -59.03 112.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 155.39 32.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -139.82 133.57 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 63' ' ' GLU . 35.9 m -51.83 147.11 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -43.65 2.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.32 -75.5 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' C ' HG23 ' A' ' 60' ' ' VAL . 17.3 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -141.75 157.52 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m -61.73 128.03 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.16 45.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -111.73 138.46 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -65.02 -43.27 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.6 131.98 5.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 15.5 mt -74.53 170.25 16.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.5 t -157.86 166.93 31.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -68.86 170.55 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 39.94 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -107.86 134.82 50.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 25' ' ' LEU . 9.9 m-85 -83.65 118.71 24.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG11 HD21 ' A' ' 8' ' ' LEU . 6.7 m -137.66 171.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 23' ' ' TYR . 21.3 mt -106.52 143.94 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.9 130.42 56.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -84.12 112.22 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.5 t-105 -77.6 166.08 23.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.57 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.1 t -48.8 -40.92 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB3' HD23 ' A' ' 22' ' ' LEU . 8.4 t70 -73.76 -20.12 60.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 23.63 7.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.4 mm? -88.89 147.39 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 15' ' ' LEU . 65.4 m-85 -106.25 107.32 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.3 m-85 -105.4 133.96 49.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' ' 13' ' ' TYR . 67.2 tp -73.95 140.52 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.3 159.4 29.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.72 114.93 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 68.9 mt -59.55 98.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -81.19 -41.51 22.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -131.58 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -117.35 112.06 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -100.72 141.74 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -109.12 -37.19 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -40.42 -53.74 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' GLN . 72.5 mttt -115.26 35.83 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 28.7 mt-30 35.89 42.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.8 p -112.93 171.03 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.0 m -150.66 131.95 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.76 90.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.66 129.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m -93.27 105.03 17.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.87 155.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -50.74 -17.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -90.17 33.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m120 42.96 31.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 19.2 p -112.36 147.32 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -115.28 119.07 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.2 m-85 -123.35 123.64 41.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 28.9 m95 -68.76 98.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.9 t -108.42 142.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.11 141.1 37.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 20.1 m0 -44.74 -32.27 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.92 26.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.79 103.23 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.57 154.0 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -89.16 109.58 20.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.35 88.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.25 146.9 16.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.43 151.15 96.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.158 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.71 35.12 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.55 109.98 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -101.2 146.18 27.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -112.39 -56.72 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.16 -76.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -131.86 132.64 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -96.26 -58.17 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.25 -71.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.744 HD22 HD11 ' A' ' 28' ' ' ILE . 17.7 mt -68.17 174.76 3.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -159.28 164.98 34.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.6 mt-10 -67.36 169.72 8.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.67 31.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -107.86 134.59 50.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 23.9 m-85 -85.88 121.44 28.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.52 168.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 23' ' ' TYR . 32.6 mt -108.43 141.84 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.6 t -111.13 132.96 53.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -81.49 106.34 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.8 t-105 -71.96 170.52 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.529 HG22 ' CE2' ' A' ' 18' ' ' TRP . 7.1 t -57.58 -33.66 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 2.2 m-20 -81.06 -10.39 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.56 16.29 37.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 20' ' ' ASP . 4.0 mm? -83.99 160.32 21.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.3 m-85 -115.88 111.54 20.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -105.27 131.78 52.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.65 143.64 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.77 147.92 15.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -97.39 113.34 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.744 HD11 HD22 ' A' ' 8' ' ' LEU . 97.0 mt -56.27 98.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -78.42 -42.28 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -134.33 159.37 41.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 38' ' ' CYS . 83.4 t -123.59 110.64 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -95.85 140.51 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.2 p -109.74 -40.83 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 m -39.56 -50.88 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 2.4 mppt? -116.83 36.83 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' LYS . 41.8 mt-30 34.75 42.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.7 m -112.95 175.84 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 31' ' ' VAL . 21.2 m -153.67 129.56 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.0 tp -72.44 92.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.71 134.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 m -95.32 101.97 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.6 166.56 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.8 -15.47 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -90.87 33.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 40.92 29.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -113.99 156.19 24.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -115.96 121.77 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -122.55 124.09 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 25.2 m95 -69.58 97.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.44 143.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 5.9 mt -79.34 138.63 37.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.795 ' HA ' HD12 ' A' ' 55' ' ' ILE . 27.6 m0 -44.04 -30.84 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.5 ptmt -70.94 -37.82 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-20 -90.68 33.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.6 mt -129.53 109.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.4 120.61 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.37 108.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.74 147.95 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.76 139.74 5.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -50.82 144.3 13.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 90.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.294 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 -120.1 4.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.883 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 p -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -100.21 165.99 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.15 117.79 4.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -87.81 106.85 18.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -88.71 175.64 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.64 -111.3 2.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 28' ' ' ILE . 16.1 mt -52.12 175.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -162.17 165.39 27.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.34 168.01 15.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.31 27.11 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -103.68 134.63 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 20.6 m-85 -84.77 116.49 23.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 m -135.03 168.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 20.0 mt -109.49 145.28 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -114.26 129.78 56.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -83.43 109.01 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 19' ' ' THR . 27.6 t-105 -77.67 169.36 18.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.6 t -57.31 -27.72 62.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.35 -7.83 59.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.04 9.84 63.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.88 145.59 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 70.0 m-85 -104.43 116.61 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.584 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.4 m-85 -108.56 129.26 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 tp -73.82 145.41 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.56 152.62 23.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 57.8 tttt -99.57 114.15 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 90.4 mt -56.9 98.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -79.31 -39.43 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -135.64 160.57 38.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.11 112.04 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 t -95.89 143.81 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -112.61 -41.58 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -40.15 -54.0 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLN . 48.4 mmtt -113.37 36.59 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' LYS . 57.6 mt-30 34.77 41.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.0 m -111.56 175.0 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.1 m -151.98 131.62 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 13.3 tp -73.27 96.48 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -97.82 130.31 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -91.93 99.71 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.74 160.35 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.88 -15.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.23 35.04 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 45' ' ' ASN . 12.5 t-20 42.25 27.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 16.3 p -109.32 151.7 26.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.9 mtmt -116.93 122.43 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-85 -125.93 126.75 44.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 33.0 m95 -71.74 97.44 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.47 146.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.56 140.69 34.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.1 m0 -46.47 -29.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -95.22 27.41 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.7 mt -120.83 105.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -87.04 140.15 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.38 108.58 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 125.48 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.92 151.79 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -43.38 144.28 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.42 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.364 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.98 153.51 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -144.02 134.48 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -66.18 170.53 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.19 76.58 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -91.59 40.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 134.1 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.67 -77.56 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.6 mt -65.11 173.88 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -163.33 163.08 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.43 167.38 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 46.3 27.33 2.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -104.29 134.81 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.657 ' HB3' HD11 ' A' ' 25' ' ' LEU . 32.0 m-85 -85.89 116.05 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -131.46 173.74 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.4 mt -110.55 144.1 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' HG21 ' A' ' 50' ' ' VAL . 79.7 m -113.45 133.21 55.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -85.41 107.49 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.6 t-105 -76.04 166.53 23.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 15.4 t -53.25 -40.4 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' HD23 ' A' ' 22' ' ' LEU . 7.9 t70 -71.6 -22.07 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.79 14.76 16.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.6 mm? -84.09 149.59 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.863 ' HB3' HD22 ' A' ' 15' ' ' LEU . 50.0 m-85 -107.41 102.52 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.9 m-85 -95.6 130.98 42.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 13' ' ' TYR . 55.9 tp -74.21 148.32 41.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.46 154.99 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.2 tttt -103.55 114.31 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.705 0.288 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.546 ' CD1' HD22 ' A' ' 8' ' ' LEU . 80.4 mt -57.98 98.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -41.15 29.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 69.4 ttt180 -131.59 158.38 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.44 117.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 t -102.18 143.91 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -112.07 -40.15 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -40.58 -53.89 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 19.6 mmtp -114.18 35.94 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 42.1 mt-30 36.23 39.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 m -106.17 177.82 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 m -159.17 131.04 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 47' ' ' LYS . 15.0 tp -72.68 99.16 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.11 118.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -82.88 98.43 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 2.9 m-85 -59.8 178.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.88 -16.15 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' OD1' ' CB ' ' A' ' 42' ' ' PHE . 17.1 p-10 -91.66 37.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m120 39.66 44.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.3 p -126.75 149.08 49.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.637 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.4 mtmp? -113.13 115.99 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.6 m-85 -121.19 123.49 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 61.7 m95 -72.87 98.48 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.484 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.6 t -105.74 144.26 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.44 146.51 40.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.6 m0 -50.67 -24.8 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -75.24 -32.77 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' HB2' HG12 ' A' ' 50' ' ' VAL . 47.7 m-20 -95.67 27.62 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.0 mt -125.69 100.12 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -51.35 122.82 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . -91.29 -178.66 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.16 -2.01 6.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.44 146.64 71.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -135.61 7.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.931 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -106.93 122.3 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -109.63 106.09 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.13 99.43 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -107.38 118.89 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -84.92 120.42 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.94 -87.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 28' ' ' ILE . 14.3 mt -60.01 168.06 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.7 t -156.64 162.99 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -67.74 169.79 9.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.6 28.06 0.98 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -104.33 134.69 47.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.741 ' HB3' HD11 ' A' ' 25' ' ' LEU . 3.9 m-85 -85.53 113.47 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.8 m -127.06 179.09 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 mt -118.11 145.73 44.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -121.0 129.55 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -82.03 115.25 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE2' HG22 ' A' ' 19' ' ' THR . 45.3 t-105 -86.49 164.23 17.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.486 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.7 t -51.67 -40.55 60.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' N ' HG23 ' A' ' 19' ' ' THR . 61.7 m-20 -62.6 -22.55 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.06 23.32 9.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.79 159.47 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -112.57 117.6 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.48 132.57 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 13' ' ' TYR . 44.9 tp -76.79 142.87 40.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.78 154.24 25.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.7 ttpt -99.93 116.25 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 8' ' ' LEU . 96.8 mt -57.6 99.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.39 -38.28 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -138.2 145.88 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.57 HG13 ' SG ' ' A' ' 38' ' ' CYS . 93.9 t -117.48 116.95 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 140.87 39.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' SER . 90.3 p -104.82 -38.87 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' SER . 30.2 m -37.51 -55.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' GLN . 14.4 mttp -114.28 36.05 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 21.9 mp0 34.61 43.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -113.75 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.57 ' SG ' HG13 ' A' ' 31' ' ' VAL . 57.3 m -154.93 131.67 10.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.02 91.67 2.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.3 125.13 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -86.08 101.13 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.74 152.3 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -51.3 -17.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.31 24.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m120 50.78 34.34 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 p -122.92 159.16 28.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -118.95 123.54 44.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -124.54 126.31 45.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.94 100.02 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.61 148.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.63 141.74 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.7 m0 -46.5 -20.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -75.03 -37.8 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.33 28.96 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 52' ' ' TRP . 83.6 mt -125.07 109.5 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -94.89 121.62 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -58.57 102.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.53 167.94 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -179.37 26.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.43 149.74 58.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.96 29.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.59 -51.32 0.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -174.98 171.56 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.825 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -84.42 -49.43 8.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.04 135.03 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -91.98 -49.22 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 110.806 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -42.8 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.86 117.94 2.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.923 HD22 HD11 ' A' ' 28' ' ' ILE . 8.2 mt -53.8 176.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -158.67 163.03 37.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.3 mt-10 -65.45 171.38 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.55 31.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -107.83 134.57 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.681 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.9 m-85 -84.78 119.31 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.505 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.9 m -137.12 177.34 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 58' ' ' ALA . 16.2 mt -113.66 142.41 46.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.5 m -121.5 122.64 40.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 12.4 ttt180 -80.57 112.21 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 19' ' ' THR . 39.0 t-105 -81.53 165.26 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -52.27 -38.15 57.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -22.88 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.26 8.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.9 mt -119.62 141.33 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 15' ' ' LEU . 63.7 m-85 -93.46 126.51 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.538 ' C ' HD23 ' A' ' 15' ' ' LEU . 74.8 m-85 -115.75 138.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 13' ' ' TYR . 64.2 tp -74.72 154.95 38.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 154.17 21.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HE3' ' CA ' ' A' ' 11' ' ' GLY . 58.0 tttt -101.2 113.76 27.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 HD22 ' A' ' 8' ' ' LEU . 93.9 mt -57.23 100.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -81.71 -39.23 24.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -134.12 162.53 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG13 ' SG ' ' A' ' 38' ' ' CYS . 99.2 t -132.62 112.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 140.42 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -109.12 -30.61 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.5 m -44.49 -48.5 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' GLN . 53.4 mttt -118.86 32.69 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.6 mt-30 38.07 46.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 m -119.52 175.63 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 31' ' ' VAL . 14.7 m -156.35 130.55 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.614 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.3 tp -72.4 91.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.49 125.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -88.01 99.33 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.35 162.93 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 5.5 mp0 -59.55 -18.38 40.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.31 29.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m120 47.58 35.84 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 27.7 p -120.0 149.12 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.4 mtmt -115.9 121.79 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -126.31 125.56 42.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -69.51 99.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.505 HG21 ' SG ' ' A' ' 16' ' ' CYS . 21.9 t -105.73 147.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 9.7 mt -79.45 138.25 37.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.3 m0 -43.92 -32.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -37.72 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . 76.9 m-20 -89.76 29.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 52' ' ' TRP . 95.0 mt -126.49 103.05 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 1.7 tm0? -90.06 127.99 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.405 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 14.1 m170 -60.85 93.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -64.19 150.16 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.56 119.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.9 148.72 92.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 128.99 16.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.84 61.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.868 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -87.1 -60.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -80.19 100.55 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 86.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -73.75 117.7 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -114.92 -47.16 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.87 -92.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 28' ' ' ILE . 13.1 mt -73.76 165.65 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 4.8 t -157.53 172.46 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -73.76 170.8 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.93 33.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -107.56 134.61 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.855 ' HB3' HD11 ' A' ' 25' ' ' LEU . 12.1 m-85 -85.48 122.18 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.13 173.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 23' ' ' TYR . 28.4 mt -108.68 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 50' ' ' VAL . 72.9 m -112.35 133.09 54.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -86.24 103.17 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.699 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.6 t-105 -71.69 163.3 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.699 HG22 ' CE2' ' A' ' 18' ' ' TRP . 5.7 t -50.42 -40.0 48.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' HD23 ' A' ' 22' ' ' LEU . 4.6 m-20 -71.76 -18.88 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.28 32.96 5.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.7 mm? -99.22 154.09 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.5 m-85 -113.42 99.17 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 87.1 m-85 -99.66 134.51 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 13' ' ' TYR . 37.9 tp -76.6 141.89 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' H ' HD12 ' A' ' 25' ' ' LEU . . . -157.37 156.88 27.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 64.7 tttt -102.16 119.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 8' ' ' LEU . 96.0 mt -61.59 98.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -75.32 -41.91 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -134.46 162.12 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -130.72 117.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -106.38 142.0 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -107.97 -35.94 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -47.36 -44.57 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.8 mttt -119.2 31.87 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' LYS . 36.8 mt-30 34.44 40.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 p -113.55 171.48 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.6 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.0 m -149.85 130.64 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.2 tp -72.56 91.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.95 137.7 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -99.74 109.87 22.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -74.71 157.27 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.64 -18.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.57 36.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 38.86 37.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.0 p -118.29 149.91 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.5 mtmt -116.48 122.2 44.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -125.97 125.22 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -67.8 95.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 16' ' ' CYS . 82.5 t -103.21 128.9 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.79 141.24 53.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 55' ' ' ILE . 24.7 m0 -45.96 -32.26 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -63.69 -37.53 87.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.32 31.79 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.5 mt -125.43 110.72 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -94.63 138.12 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -75.06 98.44 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -68.74 117.02 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.25 2.46 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.55 144.27 39.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.34 166.91 24.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m 47.23 42.36 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -90.99 117.16 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.77 -85.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 59.47 42.32 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -106.78 124.45 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.36 -77.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.89 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.6 mt -71.23 163.7 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -158.15 162.81 37.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 9' ' ' THR . 22.1 mt-10 -67.0 169.28 8.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.05 30.5 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -106.7 135.22 48.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 3.8 m-85 -86.79 112.28 21.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.664 ' O ' HD12 ' A' ' 25' ' ' LEU . 12.6 m -128.56 -179.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.7 mt -117.95 151.67 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 50' ' ' VAL . 13.9 t -129.35 125.03 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 11.7 tpt180 -71.14 140.92 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -111.32 166.98 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -57.18 -29.56 63.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.83 -9.78 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.69 31.29 13.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.88 148.47 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.0 m-85 -100.91 122.85 44.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' C ' HD23 ' A' ' 15' ' ' LEU . 44.4 m-85 -108.39 132.92 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 14' ' ' VAL . 42.3 tp -73.7 146.86 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -164.77 144.72 9.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 9.7 ttpt -94.27 117.36 30.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.89 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.4 mt -61.26 98.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -41.43 32.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -131.26 160.82 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 ' SG ' ' A' ' 38' ' ' CYS . 86.4 t -132.66 118.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.53 141.44 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.9 p -105.38 -25.83 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -49.61 -58.17 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 35.47 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 41.2 mt-30 37.22 41.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.8 p -111.87 173.6 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' HG13 ' A' ' 31' ' ' VAL . 36.0 m -152.97 134.11 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.92 92.06 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.4 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.1 t -90.56 134.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.0 104.51 16.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -68.05 154.83 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.56 -17.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.67 31.44 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 45.06 31.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 45.0 p -113.45 150.0 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -116.67 122.34 44.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.5 m-85 -126.04 129.07 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -74.07 96.85 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG21 ' SG ' ' A' ' 16' ' ' CYS . 18.2 t -106.19 143.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.41 142.43 34.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.4 m0 -47.04 -23.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.55 -37.8 74.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -98.23 25.71 5.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.16 102.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -86.49 145.37 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -81.67 98.38 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.69 122.06 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.64 166.75 0.45 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -47.94 144.37 5.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.643 2.228 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.79 113.57 1.7 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.877 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -61.15 89.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -111.87 172.98 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 -62.83 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -133.91 172.95 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.858 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -138.12 122.38 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.4 130.21 6.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.8 mt -64.96 170.46 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.89 162.76 29.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 19.8 mt-10 -65.81 172.21 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.74 29.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.726 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.74 135.61 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 14.2 m-85 -86.82 115.33 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 8' ' ' LEU . 12.1 m -129.33 171.44 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.3 mt -113.5 140.92 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -107.73 131.54 54.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -84.65 111.9 19.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -86.53 162.09 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -56.08 -19.22 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.01 13.56 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.45 70.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.31 160.98 15.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.7 m-85 -122.17 110.03 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 96.7 m-85 -101.57 130.32 47.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -74.28 152.8 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.449 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -169.2 147.45 11.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -96.91 115.17 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 12' ' ' GLN . 56.9 mt -60.15 98.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -83.35 -39.64 20.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 29.8 ttp180 -131.26 152.76 50.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 ' SG ' ' A' ' 38' ' ' CYS . 98.7 t -121.57 113.1 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 t -98.51 141.59 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.2 p -108.56 -40.95 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -38.14 -53.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.3 mmtp -115.88 36.61 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 75.9 mt-30 34.61 41.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -108.35 179.99 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.445 ' SG ' HG13 ' A' ' 31' ' ' VAL . 6.6 m -157.59 132.37 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.7 tp -74.75 90.49 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.4 t -91.06 122.98 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 m -85.39 99.01 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -62.37 163.73 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.75 -11.16 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.88 26.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.5 29.35 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -117.55 165.64 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -124.76 123.31 39.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -125.99 123.01 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 55.3 m95 -71.68 96.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.5 t -102.41 144.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 mt -79.92 139.92 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.712 ' HA ' HD12 ' A' ' 55' ' ' ILE . 31.1 m0 -46.4 -31.8 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -62.76 -36.19 82.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -101.62 27.72 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 52' ' ' TRP . 87.0 mt -119.14 103.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.62 143.01 27.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -80.96 86.88 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 107.56 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.66 140.07 2.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 m -41.48 151.94 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -34.26 15.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.7 -83.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 14.6 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.392 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.64 162.88 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.9 mt-10 -66.43 173.92 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.68 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -105.46 134.63 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 18.6 m-85 -84.85 116.1 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' NE2' ' A' ' 12' ' ' GLN . 7.6 m -134.61 168.24 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 23' ' ' TYR . 15.7 mt -104.44 143.99 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 50' ' ' VAL . 90.4 m -113.98 128.65 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.25 106.15 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.572 ' CE2' HG22 ' A' ' 19' ' ' THR . 44.7 t-105 -77.49 162.13 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.8 t -48.66 -44.0 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' THR . 85.2 m-20 -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.69 20.4 10.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.6 mm? -91.94 154.27 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' C ' HD22 ' A' ' 15' ' ' LEU . 50.6 m-85 -111.44 98.1 7.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' C ' HD23 ' A' ' 15' ' ' LEU . 91.7 m-85 -94.19 134.69 36.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD21 ' HD2' ' A' ' 13' ' ' TYR . 33.7 tp -75.96 150.01 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.34 155.68 27.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 73.3 tttt -104.8 113.65 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 80.1 mt -56.28 98.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -78.77 -41.85 29.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -132.6 163.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -134.39 116.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.27 140.2 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' SER . 82.6 p -102.08 -39.49 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' SER . 71.2 m -37.18 -59.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.6 mmtp -110.87 35.66 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 78.7 mt-30 34.53 43.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.7 p -111.83 176.94 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' HG13 ' A' ' 31' ' ' VAL . 49.0 m -158.02 131.12 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 47' ' ' LYS . 13.8 tp -73.31 91.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.26 128.83 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 m -91.55 99.38 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.18 167.82 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.82 -10.99 15.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.86 34.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 40.93 30.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -116.24 157.04 25.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.799 ' HD2' HD21 ' A' ' 39' ' ' LEU . 6.7 mtmp? -118.22 123.14 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -124.51 125.81 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -71.29 95.26 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.414 HG21 ' SG ' ' A' ' 16' ' ' CYS . 15.2 t -105.9 136.69 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.01 143.39 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 16.7 m0 -47.49 -25.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 3.2 ptmt -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 62.2 m-20 -98.76 27.78 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -122.62 105.52 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -90.59 153.18 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -87.03 97.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.657 HD22 ' CD1' ' A' ' 28' ' ' ILE . 15.2 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.15 162.67 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' THR . 15.8 mt-10 -66.86 172.36 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 42.43 24.87 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -101.98 135.09 44.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -85.31 122.32 29.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.3 m -139.49 174.51 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 17.8 mt -111.51 141.47 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.876 ' SG ' HG21 ' A' ' 50' ' ' VAL . 85.4 m -112.7 125.48 54.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -81.48 102.97 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' HG22 ' A' ' 19' ' ' THR . 31.0 t-105 -71.95 165.68 23.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.4 t -51.97 -36.83 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.713 ' HB3' HD23 ' A' ' 22' ' ' LEU . 5.1 t70 -72.48 -18.28 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.02 17.15 28.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.5 mm? -88.76 146.72 24.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.1 m-85 -104.17 107.5 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.517 ' C ' HD23 ' A' ' 15' ' ' LEU . 89.9 m-85 -104.27 136.63 43.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 14' ' ' VAL . 20.3 tp -74.91 152.35 38.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.15 152.97 21.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -102.97 113.29 26.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.657 ' CD1' HD22 ' A' ' 8' ' ' LEU . 75.4 mt -56.14 99.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.22 -36.55 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 21.1 ttm180 -140.25 153.95 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -124.54 117.76 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -111.7 141.07 45.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -108.63 -32.14 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -42.3 -47.87 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -118.91 32.79 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LYS . 18.5 mp0 37.56 47.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -123.11 179.0 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 m -158.29 130.89 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -72.64 90.96 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -92.35 126.45 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.5 m -87.82 99.84 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.76 171.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.38 -13.95 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' SER . 20.1 m-20 -92.77 36.1 1.03 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 41.0 26.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ASP . 63.1 p -109.94 158.61 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -120.39 124.0 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -125.69 124.99 42.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CE2' HD13 ' A' ' 39' ' ' LEU . 43.4 m95 -70.54 94.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.876 HG21 ' SG ' ' A' ' 16' ' ' CYS . 14.2 t -98.41 148.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.8 mt -81.83 138.53 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.58 ' HA ' HD12 ' A' ' 55' ' ' ILE . 35.8 m0 -42.85 -30.03 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -37.81 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LEU . 83.2 m-20 -87.49 26.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -123.05 101.84 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -57.75 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.0 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.3 t -159.06 162.44 36.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -65.58 172.1 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.33 28.33 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -105.76 135.31 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.1 m-85 -87.52 115.38 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.468 HG11 HD21 ' A' ' 8' ' ' LEU . 10.9 m -130.24 173.09 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -111.71 150.33 30.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -122.94 124.74 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -80.28 110.53 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 32.2 t-105 -78.69 170.49 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -60.74 -16.76 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -95.48 3.3 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.6 3.56 90.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.5 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -89.47 132.43 35.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -120.79 134.21 55.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 13' ' ' TYR . 30.1 tp -74.65 152.33 39.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -168.14 145.09 9.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -94.52 112.95 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.708 ' CD1' HD22 ' A' ' 8' ' ' LEU . 92.3 mt -57.44 100.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -83.87 -33.28 24.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 40.4 ttt180 -137.4 160.93 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.19 110.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -92.64 141.75 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -112.24 -37.29 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.3 m -44.87 -50.35 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.03 27.08 9.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 80.3 mt-30 44.1 37.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -105.33 -179.59 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.2 130.24 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.565 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.0 tp -73.7 93.64 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.2 t -93.14 123.08 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 m -84.49 100.57 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.36 153.93 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.66 -16.04 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.18 27.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 48.78 37.89 10.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 p -127.65 156.79 41.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -117.99 122.82 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.3 m-85 -123.5 124.35 42.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 21.9 m95 -70.27 97.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 48' ' ' TYR . 3.4 t -105.81 141.37 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -78.99 142.14 36.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 28.8 m0 -46.57 -33.56 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -64.29 -35.13 79.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.06 25.04 6.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 52' ' ' TRP . 93.0 mt -121.33 114.42 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -97.17 147.17 24.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.425 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 m170 -82.55 99.1 9.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -161.0 162.79 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -64.96 172.11 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.19 28.26 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -105.79 136.0 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.9 m-85 -86.24 120.9 28.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 8' ' ' LEU . 15.0 m -140.42 172.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.1 mt -103.66 147.54 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.0 m -116.88 121.05 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -78.86 104.95 9.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 19' ' ' THR . 60.7 t-105 -78.58 167.52 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 20' ' ' ASP . 13.4 t -58.88 -21.25 56.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.645 ' CB ' HD23 ' A' ' 22' ' ' LEU . 1.4 m-20 -91.08 6.71 43.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.55 16.65 80.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 20' ' ' ASP . 2.2 mm? -91.68 141.83 28.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.719 ' HB3' HD22 ' A' ' 15' ' ' LEU . 47.6 m-85 -103.65 114.53 28.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 94.1 m-85 -108.5 131.17 55.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 13' ' ' TYR . 63.0 tp -75.43 138.83 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.19 153.53 24.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.49 113.87 25.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 8' ' ' LEU . 81.3 mt -56.55 98.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HE3' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -77.71 -42.09 35.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -132.42 162.39 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.77 111.05 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -93.61 144.58 25.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -117.09 -40.81 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -43.61 -48.24 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 13.4 mptt -116.99 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 44.7 mt-30 36.71 45.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -116.03 173.31 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.8 m -151.18 130.98 13.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD23 ' HE3' ' A' ' 29' ' ' LYS . 12.8 tp -74.2 96.55 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.19 128.11 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 m -89.36 98.68 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.78 161.12 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -58.65 -11.8 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -92.05 32.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 43.54 33.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -119.33 157.58 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -121.65 122.85 40.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.67 137.93 54.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 14.3 m95 -81.08 96.9 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG21 ' SG ' ' A' ' 16' ' ' CYS . 17.3 t -105.19 140.79 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.69 144.07 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.797 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.7 m0 -47.87 -32.79 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.92 -32.28 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -98.12 32.29 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 52' ' ' TRP . 63.0 mt -130.26 113.05 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -93.75 149.02 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -83.53 94.87 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.91 163.96 31.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.5 mt-10 -67.74 172.89 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 27' ' ' LYS . . . 39.55 30.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -106.41 135.24 48.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' A' ' 25' ' ' LEU . 3.4 m-30 -82.2 116.51 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 m -134.4 172.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.91 148.25 38.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.02 131.57 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -80.46 108.71 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -78.78 170.12 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 t -64.96 -17.19 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -95.56 6.95 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.88 18.42 77.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.07 160.23 15.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.77 107.51 12.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -99.42 133.97 42.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 13' ' ' TYR . 17.5 tp -73.64 148.84 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 40' ' ' VAL . . . -162.32 145.06 10.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' CE ' ' HA2' ' A' ' 11' ' ' GLY . 65.4 tttt -96.14 110.62 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 8' ' ' LEU . 81.3 mt -54.99 98.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -39.69 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -130.62 147.12 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -119.94 109.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 2.3 t -97.08 140.92 30.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -103.61 -43.14 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -40.42 -62.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' GLN . 4.0 mmpt? -100.08 31.65 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 49.2 mt-30 34.38 37.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 81.1 p -107.91 178.36 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 m -155.64 131.07 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.41 93.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HA3' ' A' ' 26' ' ' GLY . 1.5 t -91.43 128.76 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 m -90.9 102.52 15.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.54 155.03 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.4 -16.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.1 31.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 44.73 36.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -121.81 153.94 37.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -118.37 123.28 44.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.4 m-85 -127.81 124.79 38.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.0 m95 -69.17 104.51 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 48' ' ' TYR . 18.6 t -113.4 140.05 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.3 mt -75.61 139.04 41.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.3 m0 -44.16 -31.85 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.4 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' LEU . 23.3 m-20 -92.3 29.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 52' ' ' TRP . 91.0 mt -124.28 104.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -87.9 125.17 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.64 104.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.686 HD22 ' CD1' ' A' ' 28' ' ' ILE . 14.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -161.65 163.04 30.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' THR . 13.0 mt-10 -65.76 172.52 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.13 30.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.65 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.7 134.74 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 25' ' ' LEU . 8.4 m-85 -83.32 120.77 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.434 HG13 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -142.9 166.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -100.06 148.04 24.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' HG21 ' A' ' 50' ' ' VAL . 96.0 m -120.19 132.94 55.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.93 104.22 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.428 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.1 t-105 -72.21 170.41 14.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 HG22 ' CE2' ' A' ' 18' ' ' TRP . 4.9 t -60.37 -19.36 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' A' ' 22' ' ' LEU . 2.7 m-20 -93.57 2.47 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.21 16.22 76.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -90.48 145.16 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -103.26 114.72 29.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.482 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 99.4 m-85 -109.45 134.71 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 13' ' ' TYR . 21.3 tp -78.41 128.02 33.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.58 162.85 27.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -104.58 114.43 28.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.686 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.1 mt -59.33 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.96 -36.75 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 42.3 ttt180 -134.95 160.44 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -127.68 105.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -88.74 142.97 27.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -112.99 -41.84 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 m -39.24 -55.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -113.35 36.54 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' LYS . 53.0 mt-30 36.02 45.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -153.21 131.07 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -73.47 95.3 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.59 125.62 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 m -86.3 105.25 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.4 m-85 -68.86 161.98 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.47 -15.2 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.82 33.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 42.84 33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 p -119.5 160.52 22.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HD2' HD21 ' A' ' 39' ' ' LEU . 21.8 mtmt -124.04 126.86 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.6 m-85 -129.66 123.26 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 49.6 m95 -68.42 95.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.507 HG21 ' SG ' ' A' ' 16' ' ' CYS . 12.2 t -102.54 142.49 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' HZ2' ' A' ' 53' ' ' LYS . 13.2 mt -74.78 141.86 44.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.673 ' HA ' HD12 ' A' ' 55' ' ' ILE . 33.2 m0 -45.9 -33.88 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HZ2' HD12 ' A' ' 51' ' ' LEU . 2.3 ptmm? -67.71 -35.62 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.5 m-20 -77.71 -21.92 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 52' ' ' TRP . 24.7 mt -82.05 132.37 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -119.36 121.91 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -51.52 110.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.749 HD22 HD11 ' A' ' 28' ' ' ILE . 13.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.867 0.365 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.6 t -159.59 167.08 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 11.1 mt-10 -69.22 173.21 5.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.32 31.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.72 134.56 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 7.1 m-85 -85.33 114.26 22.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 8' ' ' LEU . 15.9 m -130.28 174.93 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' TYR . 34.4 mt -110.35 149.48 30.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -117.71 132.91 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -82.31 109.21 16.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.49 ' NE1' HG22 ' A' ' 19' ' ' THR . 30.6 t-105 -74.0 168.26 19.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.49 HG22 ' NE1' ' A' ' 18' ' ' TRP . 14.7 t -53.2 -43.38 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 19' ' ' THR . 5.1 t70 -73.33 -22.22 60.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.78 22.05 6.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 20' ' ' ASP . 3.9 mm? -83.61 161.82 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 15' ' ' LEU . 52.8 m-85 -120.48 102.02 8.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -97.44 133.49 41.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 13' ' ' TYR . 25.0 tp -76.99 145.33 38.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.5 149.54 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.2 ttpt -97.1 116.77 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.749 HD11 HD22 ' A' ' 8' ' ' LEU . 82.3 mt -58.59 99.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -77.04 -41.63 41.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -135.12 162.4 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.2 t -131.06 114.72 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -102.44 140.58 36.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.0 p -106.29 -26.89 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 m -49.53 -53.91 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.9 mttt -116.26 37.39 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 50.2 mt-30 35.75 39.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -109.29 177.5 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.598 ' SG ' HG13 ' A' ' 31' ' ' VAL . 23.3 m -157.36 132.11 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD21 ' HD3' ' A' ' 47' ' ' LYS . 14.1 tp -74.56 91.87 2.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -90.45 135.07 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.2 m -97.59 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.18 161.58 26.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -56.71 -16.49 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.14 31.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 42.99 37.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -122.53 156.76 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 39' ' ' LEU . 66.7 mttt -118.67 123.36 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.1 m-85 -123.8 123.37 40.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CE2' HD13 ' A' ' 39' ' ' LEU . 29.6 m95 -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.7 t -108.25 149.74 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ASP . 13.0 mt -85.6 140.84 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 21.6 m0 -45.64 -25.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.9 ptmt -74.03 -36.72 64.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 71.0 m-20 -92.71 28.22 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.2 mt -124.92 108.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -90.92 113.31 25.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -45.77 120.58 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.726 HD22 HD11 ' A' ' 28' ' ' ILE . 15.6 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -159.35 163.66 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -66.15 171.46 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.18 29.57 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.517 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -106.33 135.05 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.717 ' HB3' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -84.61 118.86 24.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 8' ' ' LEU . 11.2 m -137.39 170.34 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 23' ' ' TYR . 13.6 mt -106.19 140.68 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 50' ' ' VAL . 84.0 m -110.84 132.2 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -85.17 110.14 18.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.411 ' CE2' HG22 ' A' ' 19' ' ' THR . 28.7 t-105 -79.79 168.28 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 18' ' ' TRP . 10.0 t -59.64 -25.95 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -88.8 5.57 42.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 30.05 56.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.62 152.86 19.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.695 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.4 m-85 -113.21 107.43 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.5 m-85 -103.15 129.02 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 13' ' ' TYR . 40.7 tp -74.31 134.47 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.18 156.83 26.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 tttt -102.15 111.62 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.726 HD11 HD22 ' A' ' 8' ' ' LEU . 70.9 mt -54.35 100.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -81.02 -39.91 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 48.1 ttt85 -134.68 156.99 47.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 38' ' ' CYS . 57.5 t -128.2 122.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 p -113.57 141.04 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.7 p -106.47 -40.18 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 m -46.43 -44.81 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . 31.3 mtmt -111.31 23.87 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 46.2 mt-30 37.77 33.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -109.19 -177.74 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 31' ' ' VAL . 11.7 m -158.99 130.54 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD21 ' HD3' ' A' ' 47' ' ' LYS . 13.9 tp -73.58 90.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.55 129.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -91.51 107.7 19.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -70.44 161.77 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -55.06 -15.74 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.58 36.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.0 36.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.4 p -117.27 149.35 40.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.568 ' HD3' HD21 ' A' ' 39' ' ' LEU . 54.5 mttt -115.05 120.46 39.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -124.49 125.16 43.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -68.59 98.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.479 HG21 ' SG ' ' A' ' 16' ' ' CYS . 39.5 t -103.98 138.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.71 139.97 40.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.992 ' HA ' HD12 ' A' ' 55' ' ' ILE . 30.6 m0 -45.43 -28.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -36.41 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -95.18 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.992 HD12 ' HA ' ' A' ' 52' ' ' TRP . 50.1 mt -130.13 105.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -93.14 119.03 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -50.67 136.75 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -161.75 163.8 29.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.76 168.82 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.0 23.74 1.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -100.58 134.76 43.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HD11 ' A' ' 25' ' ' LEU . 5.8 m-85 -85.65 114.17 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' NE2' ' A' ' 12' ' ' GLN . 6.6 m -129.34 176.22 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 23' ' ' TYR . 26.7 mt -115.17 150.22 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.03 130.11 53.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.66 113.68 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE2' HG22 ' A' ' 19' ' ' THR . 59.3 t-105 -86.82 168.8 13.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 18' ' ' TRP . 3.8 t -61.87 -12.25 16.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -97.39 11.48 36.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.55 68.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.33 150.47 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.545 ' HB3' HD22 ' A' ' 15' ' ' LEU . 81.8 m-85 -108.75 121.07 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.1 m-85 -108.97 129.32 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 13' ' ' TYR . 54.9 tp -74.52 153.37 39.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.45 155.75 26.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -101.45 113.76 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.726 0.298 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.802 HD11 HD22 ' A' ' 8' ' ' LEU . 96.5 mt -55.96 98.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -79.15 -41.79 27.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -132.68 160.24 37.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.638 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.4 t -133.62 115.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -112.94 140.72 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -103.61 -33.98 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -52.94 -37.45 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -113.32 23.18 13.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . 50.0 mt-30 35.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' LYS . 3.0 m -120.55 174.56 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.638 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.1 m -147.4 135.72 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 47' ' ' LYS . 13.5 tp -74.32 92.19 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.3 120.91 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -82.94 98.47 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -60.92 156.4 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 9.9 mp0 -56.89 -14.51 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.25 21.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 53.58 40.16 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 83.4 p -129.84 155.56 45.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 23.7 mttt -115.61 121.61 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 11.2 m-85 -124.39 127.67 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -73.52 97.53 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.83 141.56 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' ASP . 11.8 mt -77.04 138.42 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.416 ' HA ' HD12 ' A' ' 55' ' ' ILE . 42.3 m0 -43.94 -28.95 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -71.51 -37.83 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.9 m-20 -90.52 27.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 52' ' ' TRP . 77.0 mt -123.88 115.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.25 132.46 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -65.82 88.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 28' ' ' ILE . 12.5 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -167.22 164.97 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 9' ' ' THR . 11.9 mt-10 -66.16 172.12 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.22 34.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -109.74 134.99 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -85.22 111.56 19.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -124.56 -179.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 23' ' ' TYR . 15.3 mt -121.41 144.01 48.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.88 133.78 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -85.34 108.68 17.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -82.15 165.47 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -57.87 -26.36 62.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' CB ' HD23 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -88.04 6.86 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.95 16.89 80.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -84.64 156.97 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB3' HD22 ' A' ' 15' ' ' LEU . 35.0 m-85 -119.27 100.44 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.513 ' C ' HD23 ' A' ' 15' ' ' LEU . 72.6 m-85 -90.39 126.6 35.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 14' ' ' VAL . 64.2 tp -77.48 135.8 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.66 154.68 25.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -99.85 126.85 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.757 HD11 HD22 ' A' ' 8' ' ' LEU . 54.8 mt -66.71 98.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.135 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -33.0 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -140.81 156.8 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' SG ' ' A' ' 38' ' ' CYS . 97.0 t -128.18 116.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -104.66 141.34 36.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 95.2 p -103.35 -39.55 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.0 m -37.3 -56.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.8 mtmt -114.71 33.93 5.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 29.1 mp0 35.99 45.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.2 p -115.1 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.556 ' SG ' HG13 ' A' ' 31' ' ' VAL . 35.1 m -150.38 134.54 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 47' ' ' LYS . 16.8 tp -76.03 92.4 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.47 134.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.1 103.7 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -66.88 156.76 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.9 -17.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.81 31.09 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 44.62 34.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.1 p -116.43 149.18 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 39' ' ' LEU . 20.0 mtmt -114.51 120.68 41.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.0 m-85 -124.61 122.62 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.4 m95 -67.57 99.56 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' TYR . 12.3 t -110.13 138.62 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' HZ3' ' A' ' 53' ' ' LYS . 6.7 mt -75.83 141.54 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 11.2 m0 -46.09 -28.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 7.9 ptpp? -63.79 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.38 26.82 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -122.78 110.1 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -92.27 136.27 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -74.31 86.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.818 HD22 HD11 ' A' ' 28' ' ' ILE . 14.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -159.21 163.72 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.44 168.2 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.41 26.79 1.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.42 135.14 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.934 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 25' ' ' LEU . 16.3 m-85 -86.61 116.31 24.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -130.07 175.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 23' ' ' TYR . 16.4 mt -115.47 151.02 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.1 t -119.88 131.25 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -79.55 128.15 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' NE1' HG22 ' A' ' 19' ' ' THR . 53.5 t-105 -103.46 166.31 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.9 t -57.92 -23.06 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' CB ' HD13 ' A' ' 22' ' ' LEU . 78.4 m-20 -92.04 10.7 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.45 13.94 77.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 20' ' ' ASP . 11.0 mp -83.59 161.86 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.696 ' HB3' HD22 ' A' ' 15' ' ' LEU . 36.4 m-85 -122.27 107.18 11.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.48 ' C ' HD23 ' A' ' 15' ' ' LEU . 32.1 m-85 -95.84 126.44 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 14' ' ' VAL . 54.9 tp -73.94 156.49 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.55 154.04 22.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.4 tttt -102.92 115.28 30.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.818 HD11 HD22 ' A' ' 8' ' ' LEU . 96.2 mt -58.16 99.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -81.31 -41.15 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -130.93 160.29 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.495 HG13 ' SG ' ' A' ' 38' ' ' CYS . 96.0 t -133.35 118.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 p -113.98 140.98 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -106.56 -29.06 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -36.33 71.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.799 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' SER . 23.0 mmtm -118.49 23.83 11.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.5 mt-30 36.86 31.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' LYS . 2.1 m -113.14 174.5 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' A' ' 31' ' ' VAL . 10.8 m -151.58 132.24 13.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.7 tp -72.92 90.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.46 118.95 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 m -82.93 98.41 9.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.38 158.22 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 12.5 mp0 -58.74 -13.82 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.84 29.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.12 44.36 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 32.6 p -131.71 152.82 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HD2' HD21 ' A' ' 39' ' ' LEU . 25.7 mtmm -116.38 121.86 43.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.1 m-85 -125.92 122.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 39.0 m95 -70.11 94.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.6 t -101.47 143.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -80.11 144.64 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.69 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.5 m0 -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -37.49 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.93 33.07 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.8 mt -125.19 107.29 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -94.91 121.88 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -59.03 112.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 15.5 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.5 t -157.86 166.93 31.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -68.86 170.55 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 39.94 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.86 134.82 50.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 25' ' ' LEU . 9.9 m-85 -83.65 118.71 24.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG13 ' NE2' ' A' ' 12' ' ' GLN . 6.7 m -137.66 171.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 23' ' ' TYR . 21.3 mt -106.52 143.94 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.9 130.42 56.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -84.12 112.22 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.5 t-105 -77.6 166.08 23.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.57 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.1 t -48.8 -40.92 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB3' HD23 ' A' ' 22' ' ' LEU . 8.4 t70 -73.76 -20.12 60.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 23.63 7.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.4 mm? -88.89 147.39 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 15' ' ' LEU . 65.4 m-85 -106.25 107.32 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.421 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.3 m-85 -105.4 133.96 49.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' ' 13' ' ' TYR . 67.2 tp -73.95 140.52 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.3 159.4 29.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.72 114.93 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 68.9 mt -59.55 98.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -81.19 -41.51 22.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -131.58 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -117.35 112.06 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -100.72 141.74 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -109.12 -37.19 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -40.42 -53.74 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' GLN . 72.5 mttt -115.26 35.83 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 28.7 mt-30 35.89 42.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.8 p -112.93 171.03 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.0 m -150.66 131.95 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.76 90.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.66 129.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m -93.27 105.03 17.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.87 155.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -50.74 -17.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -90.17 33.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m120 42.96 31.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 19.2 p -112.36 147.32 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -115.28 119.07 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.2 m-85 -123.35 123.64 41.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 28.9 m95 -68.76 98.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.9 t -108.42 142.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.11 141.1 37.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 20.1 m0 -44.74 -32.27 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.92 26.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.79 103.23 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.57 154.0 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -89.16 109.58 20.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.744 HD22 HD11 ' A' ' 28' ' ' ILE . 17.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -159.28 164.98 34.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.6 mt-10 -67.36 169.72 8.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.67 31.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.86 134.59 50.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -85.88 121.44 28.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.52 168.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 23' ' ' TYR . 32.6 mt -108.43 141.84 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.6 t -111.13 132.96 53.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -81.49 106.34 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.8 t-105 -71.96 170.52 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.529 HG22 ' CE2' ' A' ' 18' ' ' TRP . 7.1 t -57.58 -33.66 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 2.2 m-20 -81.06 -10.39 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.56 16.29 37.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 20' ' ' ASP . 4.0 mm? -83.99 160.32 21.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.3 m-85 -115.88 111.54 20.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -105.27 131.78 52.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.65 143.64 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.77 147.92 15.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -97.39 113.34 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.744 HD11 HD22 ' A' ' 8' ' ' LEU . 97.0 mt -56.27 98.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -78.42 -42.28 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -134.33 159.37 41.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 38' ' ' CYS . 83.4 t -123.59 110.64 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -95.85 140.51 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.2 p -109.74 -40.83 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 m -39.56 -50.88 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 2.4 mppt? -116.83 36.83 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' LYS . 41.8 mt-30 34.75 42.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.7 m -112.95 175.84 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 31' ' ' VAL . 21.2 m -153.67 129.56 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.0 tp -72.44 92.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.71 134.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 m -95.32 101.97 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.6 166.56 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.8 -15.47 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -90.87 33.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 40.92 29.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -113.99 156.19 24.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -115.96 121.77 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -122.55 124.09 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 25.2 m95 -69.58 97.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.44 143.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 5.9 mt -79.34 138.63 37.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.795 ' HA ' HD12 ' A' ' 55' ' ' ILE . 27.6 m0 -44.04 -30.84 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.5 ptmt -70.94 -37.82 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-20 -90.68 33.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.6 mt -129.53 109.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.4 120.61 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.37 108.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 28' ' ' ILE . 16.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -162.17 165.39 27.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.34 168.01 15.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.31 27.11 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.68 134.63 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 20.6 m-85 -84.77 116.49 23.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG13 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -135.03 168.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 20.0 mt -109.49 145.28 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -114.26 129.78 56.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -83.43 109.01 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 19' ' ' THR . 27.6 t-105 -77.67 169.36 18.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.6 t -57.31 -27.72 62.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.35 -7.83 59.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.04 9.84 63.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.88 145.59 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 70.0 m-85 -104.43 116.61 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.584 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.4 m-85 -108.56 129.26 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 tp -73.82 145.41 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.56 152.62 23.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 57.8 tttt -99.57 114.15 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 90.4 mt -56.9 98.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -79.31 -39.43 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -135.64 160.57 38.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.11 112.04 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 t -95.89 143.81 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -112.61 -41.58 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -40.15 -54.0 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLN . 48.4 mmtt -113.37 36.59 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' LYS . 57.6 mt-30 34.77 41.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.0 m -111.56 175.0 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.1 m -151.98 131.62 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 13.3 tp -73.27 96.48 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -97.82 130.31 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -91.93 99.71 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.74 160.35 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.88 -15.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.23 35.04 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 12.5 t-20 42.25 27.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 16.3 p -109.32 151.7 26.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.9 mtmt -116.93 122.43 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-85 -125.93 126.75 44.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 33.0 m95 -71.74 97.44 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.47 146.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.56 140.69 34.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.1 m0 -46.47 -29.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -95.22 27.41 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.7 mt -120.83 105.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -87.04 140.15 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.38 108.58 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.059 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.6 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -163.33 163.08 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.43 167.38 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 46.3 27.33 2.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -104.29 134.81 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.657 ' HB3' HD11 ' A' ' 25' ' ' LEU . 32.0 m-85 -85.89 116.05 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.435 ' CG1' ' NE2' ' A' ' 12' ' ' GLN . 15.9 m -131.46 173.74 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.4 mt -110.55 144.1 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' HG21 ' A' ' 50' ' ' VAL . 79.7 m -113.45 133.21 55.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -85.41 107.49 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.6 t-105 -76.04 166.53 23.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 15.4 t -53.25 -40.4 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' HD23 ' A' ' 22' ' ' LEU . 7.9 t70 -71.6 -22.07 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.79 14.76 16.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.6 mm? -84.09 149.59 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.863 ' HB3' HD22 ' A' ' 15' ' ' LEU . 50.0 m-85 -107.41 102.52 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.9 m-85 -95.6 130.98 42.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 13' ' ' TYR . 55.9 tp -74.21 148.32 41.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.46 154.99 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.2 tttt -103.55 114.31 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.705 0.288 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.546 ' CD1' HD22 ' A' ' 8' ' ' LEU . 80.4 mt -57.98 98.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -41.15 29.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 69.4 ttt180 -131.59 158.38 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.44 117.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 t -102.18 143.91 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -112.07 -40.15 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -40.58 -53.89 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 19.6 mmtp -114.18 35.94 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 42.1 mt-30 36.23 39.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 m -106.17 177.82 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 m -159.17 131.04 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 47' ' ' LYS . 15.0 tp -72.68 99.16 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.11 118.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -82.88 98.43 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 2.9 m-85 -59.8 178.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.88 -16.15 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' OD1' ' CB ' ' A' ' 42' ' ' PHE . 17.1 p-10 -91.66 37.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m120 39.66 44.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.3 p -126.75 149.08 49.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.637 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.4 mtmp? -113.13 115.99 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.6 m-85 -121.19 123.49 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 61.7 m95 -72.87 98.48 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.484 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.6 t -105.74 144.26 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.44 146.51 40.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.6 m0 -50.67 -24.8 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -75.24 -32.77 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' HB2' HG12 ' A' ' 50' ' ' VAL . 47.7 m-20 -95.67 27.62 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.0 mt -125.69 100.12 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -51.35 122.82 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 28' ' ' ILE . 14.3 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.7 t -156.64 162.99 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -67.74 169.79 9.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.6 28.06 0.98 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 134.69 47.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.741 ' HB3' HD11 ' A' ' 25' ' ' LEU . 3.9 m-85 -85.53 113.47 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.8 m -127.06 179.09 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 mt -118.11 145.73 44.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -121.0 129.55 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -82.03 115.25 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE2' HG22 ' A' ' 19' ' ' THR . 45.3 t-105 -86.49 164.23 17.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.486 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.7 t -51.67 -40.55 60.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' N ' HG23 ' A' ' 19' ' ' THR . 61.7 m-20 -62.6 -22.55 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.06 23.32 9.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.79 159.47 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -112.57 117.6 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.48 132.57 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 13' ' ' TYR . 44.9 tp -76.79 142.87 40.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.78 154.24 25.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.7 ttpt -99.93 116.25 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 8' ' ' LEU . 96.8 mt -57.6 99.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.39 -38.28 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -138.2 145.88 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.57 HG13 ' SG ' ' A' ' 38' ' ' CYS . 93.9 t -117.48 116.95 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 140.87 39.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' SER . 90.3 p -104.82 -38.87 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' SER . 30.2 m -37.51 -55.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' GLN . 14.4 mttp -114.28 36.05 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 21.9 mp0 34.61 43.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -113.75 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.57 ' SG ' HG13 ' A' ' 31' ' ' VAL . 57.3 m -154.93 131.67 10.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.02 91.67 2.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.3 125.13 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -86.08 101.13 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.74 152.3 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -51.3 -17.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.31 24.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m120 50.78 34.34 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 p -122.92 159.16 28.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -118.95 123.54 44.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -124.54 126.31 45.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.94 100.02 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.61 148.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.63 141.74 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.7 m0 -46.5 -20.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -75.03 -37.8 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.33 28.96 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 52' ' ' TRP . 83.6 mt -125.07 109.5 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -94.89 121.62 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -58.57 102.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.04 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.923 HD22 HD11 ' A' ' 28' ' ' ILE . 8.2 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -158.67 163.03 37.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.3 mt-10 -65.45 171.38 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.55 31.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.464 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.83 134.57 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.681 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.9 m-85 -84.78 119.31 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG11 ' CD2' ' A' ' 8' ' ' LEU . 16.9 m -137.12 177.34 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 58' ' ' ALA . 16.2 mt -113.66 142.41 46.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.5 m -121.5 122.64 40.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 12.4 ttt180 -80.57 112.21 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 19' ' ' THR . 39.0 t-105 -81.53 165.26 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -52.27 -38.15 57.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -22.88 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.26 8.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.9 mt -119.62 141.33 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 15' ' ' LEU . 63.7 m-85 -93.46 126.51 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.538 ' C ' HD23 ' A' ' 15' ' ' LEU . 74.8 m-85 -115.75 138.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 13' ' ' TYR . 64.2 tp -74.72 154.95 38.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 154.17 21.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HE3' ' CA ' ' A' ' 11' ' ' GLY . 58.0 tttt -101.2 113.76 27.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 HD22 ' A' ' 8' ' ' LEU . 93.9 mt -57.23 100.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -81.71 -39.23 24.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -134.12 162.53 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG13 ' SG ' ' A' ' 38' ' ' CYS . 99.2 t -132.62 112.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 140.42 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -109.12 -30.61 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.5 m -44.49 -48.5 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' GLN . 53.4 mttt -118.86 32.69 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.6 mt-30 38.07 46.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 m -119.52 175.63 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 31' ' ' VAL . 14.7 m -156.35 130.55 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.614 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.3 tp -72.4 91.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.49 125.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -88.01 99.33 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.35 162.93 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 5.5 mp0 -59.55 -18.38 40.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.31 29.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m120 47.58 35.84 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 27.7 p -120.0 149.12 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.4 mtmt -115.9 121.79 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -126.31 125.56 42.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -69.51 99.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.505 HG21 ' SG ' ' A' ' 16' ' ' CYS . 21.9 t -105.73 147.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 9.7 mt -79.45 138.25 37.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.3 m0 -43.92 -32.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -37.72 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . 76.9 m-20 -89.76 29.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 52' ' ' TRP . 95.0 mt -126.49 103.05 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 1.7 tm0? -90.06 127.99 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.405 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 14.1 m170 -60.85 93.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 28' ' ' ILE . 13.1 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 4.8 t -157.53 172.46 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -73.76 170.8 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.93 33.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -107.56 134.61 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.855 ' HB3' HD11 ' A' ' 25' ' ' LEU . 12.1 m-85 -85.48 122.18 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.13 173.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 23' ' ' TYR . 28.4 mt -108.68 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 50' ' ' VAL . 72.9 m -112.35 133.09 54.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -86.24 103.17 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.699 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.6 t-105 -71.69 163.3 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.699 HG22 ' CE2' ' A' ' 18' ' ' TRP . 5.7 t -50.42 -40.0 48.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' HD23 ' A' ' 22' ' ' LEU . 4.6 m-20 -71.76 -18.88 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.28 32.96 5.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.7 mm? -99.22 154.09 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.5 m-85 -113.42 99.17 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.445 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 87.1 m-85 -99.66 134.51 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 13' ' ' TYR . 37.9 tp -76.6 141.89 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.487 ' H ' HD12 ' A' ' 25' ' ' LEU . . . -157.37 156.88 27.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 64.7 tttt -102.16 119.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 8' ' ' LEU . 96.0 mt -61.59 98.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -75.32 -41.91 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -134.46 162.12 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -130.72 117.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -106.38 142.0 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -107.97 -35.94 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -47.36 -44.57 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.8 mttt -119.2 31.87 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' LYS . 36.8 mt-30 34.44 40.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 p -113.55 171.48 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.6 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.0 m -149.85 130.64 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.2 tp -72.56 91.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.95 137.7 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -99.74 109.87 22.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -74.71 157.27 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.64 -18.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.57 36.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 38.86 37.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.0 p -118.29 149.91 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.5 mtmt -116.48 122.2 44.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -125.97 125.22 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -67.8 95.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 16' ' ' CYS . 82.5 t -103.21 128.9 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.79 141.24 53.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 55' ' ' ILE . 24.7 m0 -45.96 -32.26 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -63.69 -37.53 87.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.32 31.79 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.5 mt -125.43 110.72 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -94.63 138.12 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -75.06 98.44 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.89 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.6 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -158.15 162.81 37.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 9' ' ' THR . 22.1 mt-10 -67.0 169.28 8.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.05 30.5 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -106.7 135.22 48.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 3.8 m-85 -86.79 112.28 21.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.664 ' O ' HD12 ' A' ' 25' ' ' LEU . 12.6 m -128.56 -179.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.7 mt -117.95 151.67 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 50' ' ' VAL . 13.9 t -129.35 125.03 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 11.7 tpt180 -71.14 140.92 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -111.32 166.98 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -57.18 -29.56 63.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.83 -9.78 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.69 31.29 13.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.88 148.47 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.0 m-85 -100.91 122.85 44.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' C ' HD23 ' A' ' 15' ' ' LEU . 44.4 m-85 -108.39 132.92 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 14' ' ' VAL . 42.3 tp -73.7 146.86 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -164.77 144.72 9.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 9.7 ttpt -94.27 117.36 30.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.89 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.4 mt -61.26 98.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -41.43 32.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -131.26 160.82 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 ' SG ' ' A' ' 38' ' ' CYS . 86.4 t -132.66 118.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.53 141.44 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.9 p -105.38 -25.83 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -49.61 -58.17 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 35.47 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 41.2 mt-30 37.22 41.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.8 p -111.87 173.6 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' HG13 ' A' ' 31' ' ' VAL . 36.0 m -152.97 134.11 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.92 92.06 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.4 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.1 t -90.56 134.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.0 104.51 16.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -68.05 154.83 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.56 -17.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.67 31.44 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 45.06 31.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 45.0 p -113.45 150.0 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -116.67 122.34 44.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.5 m-85 -126.04 129.07 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -74.07 96.85 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG21 ' SG ' ' A' ' 16' ' ' CYS . 18.2 t -106.19 143.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.41 142.43 34.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.4 m0 -47.04 -23.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.55 -37.8 74.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -98.23 25.71 5.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.16 102.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -86.49 145.37 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -81.67 98.38 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.89 162.76 29.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 19.8 mt-10 -65.81 172.21 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.74 29.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.726 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -105.74 135.61 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -86.82 115.33 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 8' ' ' LEU . 12.1 m -129.33 171.44 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.3 mt -113.5 140.92 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -107.73 131.54 54.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -84.65 111.9 19.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -86.53 162.09 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -56.08 -19.22 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.01 13.56 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.45 70.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.31 160.98 15.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.7 m-85 -122.17 110.03 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 96.7 m-85 -101.57 130.32 47.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -74.28 152.8 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.449 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -169.2 147.45 11.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -96.91 115.17 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 12' ' ' GLN . 56.9 mt -60.15 98.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -83.35 -39.64 20.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 29.8 ttp180 -131.26 152.76 50.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 ' SG ' ' A' ' 38' ' ' CYS . 98.7 t -121.57 113.1 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 t -98.51 141.59 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.2 p -108.56 -40.95 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -38.14 -53.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.3 mmtp -115.88 36.61 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 75.9 mt-30 34.61 41.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -108.35 179.99 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.445 ' SG ' HG13 ' A' ' 31' ' ' VAL . 6.6 m -157.59 132.37 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.7 tp -74.75 90.49 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.4 t -91.06 122.98 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 m -85.39 99.01 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -62.37 163.73 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.75 -11.16 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.88 26.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.5 29.35 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -117.55 165.64 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -124.76 123.31 39.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -125.99 123.01 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 55.3 m95 -71.68 96.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.5 t -102.41 144.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 mt -79.92 139.92 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.712 ' HA ' HD12 ' A' ' 55' ' ' ILE . 31.1 m0 -46.4 -31.8 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -62.76 -36.19 82.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -101.62 27.72 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 52' ' ' TRP . 87.0 mt -119.14 103.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.62 143.01 27.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -80.96 86.88 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -145.25 165.24 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -99.8 -53.76 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.56 43.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 t -118.36 114.45 22.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 p -170.39 158.71 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.09 130.18 1.85 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 14.6 mt -70.36 173.41 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.922 0.392 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.64 162.88 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.9 mt-10 -66.43 173.92 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.68 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -105.46 134.63 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 18.6 m-85 -84.85 116.1 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' NE2' ' A' ' 12' ' ' GLN . 7.6 m -134.61 168.24 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 23' ' ' TYR . 15.7 mt -104.44 143.99 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 50' ' ' VAL . 90.4 m -113.98 128.65 56.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -84.25 106.15 15.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.572 ' CE2' HG22 ' A' ' 19' ' ' THR . 44.7 t-105 -77.49 162.13 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.572 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.8 t -48.66 -44.0 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' THR . 85.2 m-20 -63.02 -24.1 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.69 20.4 10.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.6 mm? -91.94 154.27 18.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' C ' HD22 ' A' ' 15' ' ' LEU . 50.6 m-85 -111.44 98.1 7.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' C ' HD23 ' A' ' 15' ' ' LEU . 91.7 m-85 -94.19 134.69 36.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.403 HD21 ' HD2' ' A' ' 13' ' ' TYR . 33.7 tp -75.96 150.01 37.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.34 155.68 27.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 73.3 tttt -104.8 113.65 27.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 80.1 mt -56.28 98.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -78.77 -41.85 29.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -132.6 163.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.595 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -134.39 116.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.27 140.2 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 34' ' ' SER . 82.6 p -102.08 -39.49 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 33' ' ' SER . 71.2 m -37.18 -59.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.6 mmtp -110.87 35.66 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.578 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 78.7 mt-30 34.53 43.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.7 p -111.83 176.94 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' HG13 ' A' ' 31' ' ' VAL . 49.0 m -158.02 131.12 7.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.799 HD21 ' HD2' ' A' ' 47' ' ' LYS . 13.8 tp -73.31 91.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.26 128.83 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 m -91.55 99.38 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.18 167.82 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.82 -10.99 15.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -93.86 34.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 40.93 30.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.5 p -116.24 157.04 25.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.799 ' HD2' HD21 ' A' ' 39' ' ' LEU . 6.7 mtmp? -118.22 123.14 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -124.51 125.81 44.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -71.29 95.26 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.414 HG21 ' SG ' ' A' ' 16' ' ' CYS . 15.2 t -105.9 136.69 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -75.01 143.39 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 16.7 m0 -47.49 -25.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 3.2 ptmt -68.84 -37.31 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 62.2 m-20 -98.76 27.78 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -122.62 105.52 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' CE1' ' A' ' 23' ' ' TYR . 37.9 tt0 -90.59 153.18 20.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -87.03 97.41 10.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.8 139.08 57.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.06 -133.57 4.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -96.21 144.34 27.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.566 0.698 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.64 12.42 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.353 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.08 136.72 9.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.874 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -137.52 133.29 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 t -102.22 -55.31 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.28 -145.58 44.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -99.11 171.5 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -97.81 -47.06 5.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.03 126.69 0.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.657 HD22 ' CD1' ' A' ' 28' ' ' ILE . 15.2 mt -78.36 170.51 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.15 162.67 33.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' THR . 15.8 mt-10 -66.86 172.36 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 42.43 24.87 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -101.98 135.09 44.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -85.31 122.32 29.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 25' ' ' LEU . 16.3 m -139.49 174.51 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 17.8 mt -111.51 141.47 45.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.876 ' SG ' HG21 ' A' ' 50' ' ' VAL . 85.4 m -112.7 125.48 54.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -81.48 102.97 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' NE1' HG22 ' A' ' 19' ' ' THR . 31.0 t-105 -71.95 165.68 23.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.432 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.4 t -51.97 -36.83 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.713 ' HB3' HD23 ' A' ' 22' ' ' LEU . 5.1 t70 -72.48 -18.28 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.02 17.15 28.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.5 mm? -88.76 146.72 24.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.1 m-85 -104.17 107.5 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.517 ' C ' HD23 ' A' ' 15' ' ' LEU . 89.9 m-85 -104.27 136.63 43.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 14' ' ' VAL . 20.3 tp -74.91 152.35 38.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.15 152.97 21.73 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -102.97 113.29 26.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.657 ' CD1' HD22 ' A' ' 8' ' ' LEU . 75.4 mt -56.14 99.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -79.22 -36.55 39.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 21.1 ttm180 -140.25 153.95 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.0 t -124.54 117.76 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -111.7 141.07 45.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.1 m -108.63 -32.14 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.7 m -42.3 -47.87 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -118.91 32.79 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LYS . 18.5 mp0 37.56 47.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -123.11 179.0 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 26.3 m -158.29 130.89 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.1 tp -72.64 90.96 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -92.35 126.45 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.5 m -87.82 99.84 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.76 171.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.38 -13.95 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' SER . 20.1 m-20 -92.77 36.1 1.03 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 41.0 26.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ASP . 63.1 p -109.94 158.61 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -120.39 124.0 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -125.69 124.99 42.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.487 ' CE2' HD13 ' A' ' 39' ' ' LEU . 43.4 m95 -70.54 94.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.876 HG21 ' SG ' ' A' ' 16' ' ' CYS . 14.2 t -98.41 148.1 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.8 mt -81.83 138.53 35.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.58 ' HA ' HD12 ' A' ' 55' ' ' ILE . 35.8 m0 -42.85 -30.03 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -37.81 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LEU . 83.2 m-20 -87.49 26.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 52' ' ' TRP . 86.3 mt -123.05 101.84 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -90.12 122.08 32.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -57.75 97.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 167.05 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.14 -176.48 30.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.43 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 m -55.75 145.55 51.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.722 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 179.08 3.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -114.24 -117.22 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.828 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -138.03 149.15 45.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -77.95 113.07 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -102.32 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -86.05 91.87 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -121.11 -57.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.42 -111.24 0.45 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.0 mt -53.19 164.36 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.3 t -159.06 162.44 36.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -65.58 172.1 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.33 28.33 0.31 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.472 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -105.76 135.31 47.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.853 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.1 m-85 -87.52 115.38 24.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.468 HG11 HD21 ' A' ' 8' ' ' LEU . 10.9 m -130.24 173.09 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -111.71 150.33 30.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 t -122.94 124.74 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -80.28 110.53 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 32.2 t-105 -78.69 170.49 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -60.74 -16.76 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -95.48 3.3 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.6 3.56 90.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.5 129.78 34.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -89.47 132.43 35.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -120.79 134.21 55.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 13' ' ' TYR . 30.1 tp -74.65 152.33 39.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -168.14 145.09 9.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -94.52 112.95 24.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.708 ' CD1' HD22 ' A' ' 8' ' ' LEU . 92.3 mt -57.44 100.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -83.87 -33.28 24.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 40.4 ttt180 -137.4 160.93 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.19 110.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -92.64 141.75 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -112.24 -37.29 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.3 m -44.87 -50.35 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.03 27.08 9.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 80.3 mt-30 44.1 37.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -105.33 -179.59 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.2 130.24 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.565 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.0 tp -73.7 93.64 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.467 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.2 t -93.14 123.08 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 m -84.49 100.57 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.36 153.93 36.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.66 -16.04 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.18 27.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 48.78 37.89 10.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 p -127.65 156.79 41.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -117.99 122.82 44.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.452 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.3 m-85 -123.5 124.35 42.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 21.9 m95 -70.27 97.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 48' ' ' TYR . 3.4 t -105.81 141.37 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -78.99 142.14 36.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 28.8 m0 -46.57 -33.56 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -64.29 -35.13 79.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.06 25.04 6.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 52' ' ' TRP . 93.0 mt -121.33 114.42 43.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -97.17 147.17 24.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.425 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 18.4 m170 -82.55 99.1 9.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.41 109.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.82 140.97 8.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.1 m -66.48 145.5 98.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.25 36.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.95 121.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -48.56 -53.41 18.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -62.09 157.5 18.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.81 71.24 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -77.55 125.1 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -82.15 149.0 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.18 -97.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt -55.49 172.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -161.0 162.79 31.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -64.96 172.11 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.19 28.26 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -105.79 136.0 46.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HB3' HD11 ' A' ' 25' ' ' LEU . 18.9 m-85 -86.24 120.9 28.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 8' ' ' LEU . 15.0 m -140.42 172.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.1 mt -103.66 147.54 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.0 m -116.88 121.05 40.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -78.86 104.95 9.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.487 ' NE1' HG22 ' A' ' 19' ' ' THR . 60.7 t-105 -78.58 167.52 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.589 HG23 ' OD1' ' A' ' 20' ' ' ASP . 13.4 t -58.88 -21.25 56.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.645 ' CB ' HD23 ' A' ' 22' ' ' LEU . 1.4 m-20 -91.08 6.71 43.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.55 16.65 80.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' A' ' 20' ' ' ASP . 2.2 mm? -91.68 141.83 28.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.719 ' HB3' HD22 ' A' ' 15' ' ' LEU . 47.6 m-85 -103.65 114.53 28.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 94.1 m-85 -108.5 131.17 55.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 13' ' ' TYR . 63.0 tp -75.43 138.83 41.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.19 153.53 24.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -96.49 113.87 25.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.718 0.294 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 8' ' ' LEU . 81.3 mt -56.55 98.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HE3' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -77.71 -42.09 35.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -132.42 162.39 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.77 111.05 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -93.61 144.58 25.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -117.09 -40.81 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -43.61 -48.24 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 13.4 mptt -116.99 33.73 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 44.7 mt-30 36.71 45.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -116.03 173.31 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.8 m -151.18 130.98 13.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD23 ' HE3' ' A' ' 29' ' ' LYS . 12.8 tp -74.2 96.55 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.19 128.11 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 m -89.36 98.68 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.78 161.12 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -58.65 -11.8 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -92.05 32.85 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 43.54 33.16 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -119.33 157.58 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -121.65 122.85 40.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.67 137.93 54.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.471 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 14.3 m95 -81.08 96.9 7.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG21 ' SG ' ' A' ' 16' ' ' CYS . 17.3 t -105.19 140.79 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.69 144.07 37.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.797 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.7 m0 -47.87 -32.79 6.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -67.92 -32.28 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -98.12 32.29 2.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 52' ' ' TRP . 63.0 mt -130.26 113.05 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -93.75 149.02 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -83.53 94.87 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.11 106.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.52 168.69 38.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 m -76.19 144.36 74.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.6 0.714 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 165.18 31.81 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.64 129.33 3.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.447 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -171.44 171.1 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.382 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -92.54 -61.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.91 66.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 6' ' ' SER . 34.3 p -60.47 144.59 50.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' SER . 18.4 m -38.35 152.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.33 -123.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.7 mt -65.7 168.47 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -160.91 163.96 31.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 10.5 mt-10 -67.74 172.89 4.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA2' ' CE ' ' A' ' 27' ' ' LYS . . . 39.55 30.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -106.41 135.24 48.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 110.944 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' A' ' 25' ' ' LEU . 3.4 m-30 -82.2 116.51 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 m -134.4 172.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.91 148.25 38.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.02 131.57 56.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -80.46 108.71 14.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -78.78 170.12 17.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 t -64.96 -17.19 64.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -95.56 6.95 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.88 18.42 77.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.07 160.23 15.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -120.77 107.51 12.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -99.42 133.97 42.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 13' ' ' TYR . 17.5 tp -73.64 148.84 42.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.978 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 40' ' ' VAL . . . -162.32 145.06 10.27 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' CE ' ' HA2' ' A' ' 11' ' ' GLY . 65.4 tttt -96.14 110.62 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.611 ' CD1' HD22 ' A' ' 8' ' ' LEU . 81.3 mt -54.99 98.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 -39.69 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -130.62 147.12 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.7 t -119.94 109.82 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 2.3 t -97.08 140.92 30.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 p -103.61 -43.14 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -40.42 -62.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' GLN . 4.0 mmpt? -100.08 31.65 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 49.2 mt-30 34.38 37.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 81.1 p -107.91 178.36 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 39.6 m -155.64 131.07 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.41 93.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HA3' ' A' ' 26' ' ' GLY . 1.5 t -91.43 128.76 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.2 m -90.9 102.52 15.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.54 155.03 36.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -52.4 -16.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.1 31.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 44.73 36.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -121.81 153.94 37.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -118.37 123.28 44.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.4 m-85 -127.81 124.79 38.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.0 m95 -69.17 104.51 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 48' ' ' TYR . 18.6 t -113.4 140.05 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ASP . 12.3 mt -75.61 139.04 41.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.601 ' HA ' HD12 ' A' ' 55' ' ' ILE . 22.3 m0 -44.16 -31.85 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -37.4 82.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' LEU . 23.3 m-20 -92.3 29.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 52' ' ' TRP . 91.0 mt -124.28 104.57 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -87.9 125.17 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -61.64 104.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.36 99.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.43 140.45 9.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.82 144.61 1.82 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 149.15 66.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.34 -104.95 0.37 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.518 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -152.97 174.64 13.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -154.7 172.68 17.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.19 -174.63 5.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.457 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 p -91.17 42.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -95.37 121.46 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.85 -114.64 0.46 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.686 HD22 ' CD1' ' A' ' 28' ' ' ILE . 14.9 mt -54.35 170.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -161.65 163.04 30.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' THR . 13.0 mt-10 -65.76 172.52 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.13 30.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.65 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.7 134.74 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 25' ' ' LEU . 8.4 m-85 -83.32 120.77 26.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 HG13 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -142.9 166.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.5 mt -100.06 148.04 24.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' SG ' HG21 ' A' ' 50' ' ' VAL . 96.0 m -120.19 132.94 55.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -84.93 104.22 14.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.428 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.1 t-105 -72.21 170.41 14.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 HG22 ' CE2' ' A' ' 18' ' ' TRP . 4.9 t -60.37 -19.36 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' CB ' HD23 ' A' ' 22' ' ' LEU . 2.7 m-20 -93.57 2.47 56.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.21 16.22 76.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -90.48 145.16 25.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -103.26 114.72 29.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.482 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 99.4 m-85 -109.45 134.71 51.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 13' ' ' TYR . 21.3 tp -78.41 128.02 33.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.58 162.85 27.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -104.58 114.43 28.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.686 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.1 mt -59.33 99.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -82.96 -36.75 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 42.3 ttt180 -134.95 160.44 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -127.68 105.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -88.74 142.97 27.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.9 p -112.99 -41.84 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 m -39.24 -55.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -113.35 36.54 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' LYS . 53.0 mt-30 36.02 45.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -113.23 173.78 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -153.21 131.07 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 14.7 tp -73.47 95.3 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -96.59 125.62 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 m -86.3 105.25 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.4 m-85 -68.86 161.98 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -57.47 -15.2 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.82 33.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 42.84 33.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.2 p -119.5 160.52 22.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HD2' HD21 ' A' ' 39' ' ' LEU . 21.8 mtmt -124.04 126.86 46.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.6 m-85 -129.66 123.26 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 49.6 m95 -68.42 95.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.507 HG21 ' SG ' ' A' ' 16' ' ' CYS . 12.2 t -102.54 142.49 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD12 ' HZ2' ' A' ' 53' ' ' LYS . 13.2 mt -74.78 141.86 44.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.673 ' HA ' HD12 ' A' ' 55' ' ' ILE . 33.2 m0 -45.9 -33.88 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HZ2' HD12 ' A' ' 51' ' ' LEU . 2.3 ptmm? -67.71 -35.62 79.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' HB2' HG12 ' A' ' 50' ' ' VAL . 15.5 m-20 -77.71 -21.92 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 52' ' ' TRP . 24.7 mt -82.05 132.37 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -119.36 121.91 40.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -51.52 110.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.64 155.24 33.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.17 157.38 19.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 m -47.96 148.03 3.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.662 0.744 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.95 7.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.6 165.33 40.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.353 . . . . 0.0 110.887 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -160.47 130.47 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -111.34 172.52 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.61 69.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -66.79 143.04 57.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -59.8 106.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.41 -101.31 2.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.749 HD22 HD11 ' A' ' 28' ' ' ILE . 13.3 mt -72.5 167.21 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.6 t -159.59 167.08 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 11.1 mt-10 -69.22 173.21 5.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.32 31.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.72 134.56 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 7.1 m-85 -85.33 114.26 22.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.965 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 8' ' ' LEU . 15.9 m -130.28 174.93 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' TYR . 34.4 mt -110.35 149.48 30.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -117.71 132.91 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -82.31 109.21 16.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.49 ' NE1' HG22 ' A' ' 19' ' ' THR . 30.6 t-105 -74.0 168.26 19.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.49 HG22 ' NE1' ' A' ' 18' ' ' TRP . 14.7 t -53.2 -43.38 67.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 19' ' ' THR . 5.1 t70 -73.33 -22.22 60.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.78 22.05 6.16 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.482 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 20' ' ' ASP . 3.9 mm? -83.61 161.82 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 15' ' ' LEU . 52.8 m-85 -120.48 102.02 8.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -97.44 133.49 41.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 13' ' ' TYR . 25.0 tp -76.99 145.33 38.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.5 149.54 17.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.2 ttpt -97.1 116.77 29.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.749 HD11 HD22 ' A' ' 8' ' ' LEU . 82.3 mt -58.59 99.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -77.04 -41.63 41.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -135.12 162.4 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.2 t -131.06 114.72 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -102.44 140.58 36.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.0 p -106.29 -26.89 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.6 m -49.53 -53.91 20.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.9 mttt -116.26 37.39 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 50.2 mt-30 35.75 39.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.6 p -109.29 177.5 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.598 ' SG ' HG13 ' A' ' 31' ' ' VAL . 23.3 m -157.36 132.11 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD21 ' HD3' ' A' ' 47' ' ' LYS . 14.1 tp -74.56 91.87 2.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -90.45 135.07 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.2 m -97.59 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.18 161.58 26.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -56.71 -16.49 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -88.14 31.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 42.99 37.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -122.53 156.76 33.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD21 ' A' ' 39' ' ' LEU . 66.7 mttt -118.67 123.36 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 50' ' ' VAL . 10.1 m-85 -123.8 123.37 40.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CE2' HD13 ' A' ' 39' ' ' LEU . 29.6 m95 -69.68 98.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.7 t -108.25 149.74 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ASP . 13.0 mt -85.6 140.84 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 21.6 m0 -45.64 -25.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.9 ptmt -74.03 -36.72 64.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 71.0 m-20 -92.71 28.22 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 52' ' ' TRP . 94.2 mt -124.92 108.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -90.92 113.31 25.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -45.77 120.58 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . -100.42 143.94 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.69 118.16 4.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.07 146.52 97.37 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.728 . . . . 0.0 111.183 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.73 18.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.28 94.24 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -88.95 134.99 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -115.23 153.42 30.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -55.63 29.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 p -72.28 114.96 10.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -87.91 141.34 28.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.27 -98.5 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.726 HD22 HD11 ' A' ' 28' ' ' ILE . 15.6 mt -64.52 170.51 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -159.35 163.66 35.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 12.0 mt-10 -66.15 171.46 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.18 29.57 0.36 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.517 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -106.33 135.05 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.717 ' HB3' HD11 ' A' ' 25' ' ' LEU . 4.6 m-85 -84.61 118.86 24.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 8' ' ' LEU . 11.2 m -137.39 170.34 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 23' ' ' TYR . 13.6 mt -106.19 140.68 38.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 50' ' ' VAL . 84.0 m -110.84 132.2 54.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.0 ttt85 -85.17 110.14 18.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.411 ' CE2' HG22 ' A' ' 19' ' ' THR . 28.7 t-105 -79.79 168.28 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.411 HG22 ' CE2' ' A' ' 18' ' ' TRP . 10.0 t -59.64 -25.95 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -88.8 5.57 42.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.72 30.05 56.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -99.62 152.86 19.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.695 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.4 m-85 -113.21 107.43 15.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.481 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.5 m-85 -103.15 129.02 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 13' ' ' TYR . 40.7 tp -74.31 134.47 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.18 156.83 26.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 54.4 tttt -102.15 111.62 23.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.726 HD11 HD22 ' A' ' 8' ' ' LEU . 70.9 mt -54.35 100.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -81.02 -39.91 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 48.1 ttt85 -134.68 156.99 47.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.609 HG13 ' SG ' ' A' ' 38' ' ' CYS . 57.5 t -128.2 122.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 p -113.57 141.04 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.7 p -106.47 -40.18 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 m -46.43 -44.81 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' GLN . 31.3 mtmt -111.31 23.87 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 46.2 mt-30 37.77 33.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.0 m -109.19 -177.74 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.609 ' SG ' HG13 ' A' ' 31' ' ' VAL . 11.7 m -158.99 130.54 6.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD21 ' HD3' ' A' ' 47' ' ' LYS . 13.9 tp -73.58 90.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.55 129.42 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.7 m -91.51 107.7 19.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -70.44 161.77 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -55.06 -15.74 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.58 36.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.0 36.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.4 p -117.27 149.35 40.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.568 ' HD3' HD21 ' A' ' 39' ' ' LEU . 54.5 mttt -115.05 120.46 39.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -124.49 125.16 43.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -68.59 98.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.479 HG21 ' SG ' ' A' ' 16' ' ' CYS . 39.5 t -103.98 138.45 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.71 139.97 40.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.992 ' HA ' HD12 ' A' ' 55' ' ' ILE . 30.6 m0 -45.43 -28.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.81 -36.41 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -95.18 34.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.992 HD12 ' HA ' ' A' ' 52' ' ' TRP . 50.1 mt -130.13 105.51 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -93.14 119.03 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -50.67 136.75 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.86 168.69 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.92 -149.29 7.03 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -54.1 144.3 39.56 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.48 2.82 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' GLU . . . 126.78 166.16 12.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.536 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' GLY . 3.4 pm0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.2 m 36.48 42.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -120.04 118.25 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.69 112.51 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -87.51 139.97 30.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -111.6 -47.47 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 122.32 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 28' ' ' ILE . 13.4 mt -66.44 174.87 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 t -161.75 163.8 29.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.76 168.82 12.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.0 23.74 1.18 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -100.58 134.76 43.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.715 ' HB3' HD11 ' A' ' 25' ' ' LEU . 5.8 m-85 -85.65 114.17 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' NE2' ' A' ' 12' ' ' GLN . 6.6 m -129.34 176.22 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 23' ' ' TYR . 26.7 mt -115.17 150.22 36.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 t -122.03 130.11 53.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.66 113.68 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.518 ' CE2' HG22 ' A' ' 19' ' ' THR . 59.3 t-105 -86.82 168.8 13.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 18' ' ' TRP . 3.8 t -61.87 -12.25 16.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -97.39 11.48 36.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.55 68.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.33 150.47 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.545 ' HB3' HD22 ' A' ' 15' ' ' LEU . 81.8 m-85 -108.75 121.07 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.1 m-85 -108.97 129.32 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' A' ' 13' ' ' TYR . 54.9 tp -74.52 153.37 39.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.45 155.75 26.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -101.45 113.76 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.726 0.298 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.802 HD11 HD22 ' A' ' 8' ' ' LEU . 96.5 mt -55.96 98.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -79.15 -41.79 27.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -132.68 160.24 37.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.638 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.4 t -133.62 115.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -112.94 140.72 47.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -103.61 -33.98 8.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -52.94 -37.45 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -113.32 23.18 13.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . 50.0 mt-30 35.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' LYS . 3.0 m -120.55 174.56 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.638 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.1 m -147.4 135.72 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 47' ' ' LYS . 13.5 tp -74.32 92.19 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.3 120.91 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -82.94 98.47 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -60.92 156.4 17.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' C ' ' A' ' 25' ' ' LEU . 9.9 mp0 -56.89 -14.51 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -86.25 21.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 53.58 40.16 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 48' ' ' TYR . 83.4 p -129.84 155.56 45.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 23.7 mttt -115.61 121.61 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.47 ' CZ ' ' OG ' ' A' ' 46' ' ' SER . 11.2 m-85 -124.39 127.67 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -73.52 97.53 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.83 141.56 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' ASP . 11.8 mt -77.04 138.42 39.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.416 ' HA ' HD12 ' A' ' 55' ' ' ILE . 42.3 m0 -43.94 -28.95 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -71.51 -37.83 71.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.9 m-20 -90.52 27.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 52' ' ' TRP . 77.0 mt -123.88 115.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.25 132.46 48.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -65.82 88.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.56 104.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -107.12 167.51 13.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.42 145.33 63.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.38 37.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.399 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.26 165.22 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.92 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -39.67 150.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -99.77 127.76 45.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.4 59.11 0.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -115.51 170.46 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -84.52 168.4 15.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.82 -102.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 28' ' ' ILE . 12.5 mt -57.57 167.08 1.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.9 t -167.22 164.97 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 9' ' ' THR . 11.9 mt-10 -66.16 172.12 4.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . 38.22 34.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -109.74 134.99 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.53 ' HB3' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -85.22 111.56 19.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -124.56 -179.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 23' ' ' TYR . 15.3 mt -121.41 144.01 48.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -110.88 133.78 53.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -85.34 108.68 17.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -82.15 165.47 20.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -57.87 -26.36 62.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' CB ' HD23 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -88.04 6.86 34.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.95 16.89 80.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 20' ' ' ASP . 4.4 mm? -84.64 156.97 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' HB3' HD22 ' A' ' 15' ' ' LEU . 35.0 m-85 -119.27 100.44 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' C ' HD23 ' A' ' 15' ' ' LEU . 72.6 m-85 -90.39 126.6 35.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 14' ' ' VAL . 64.2 tp -77.48 135.8 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.66 154.68 25.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -99.85 126.85 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.757 HD11 HD22 ' A' ' 8' ' ' LEU . 54.8 mt -66.71 98.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.135 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -33.0 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.7 ttm-85 -140.81 156.8 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' SG ' ' A' ' 38' ' ' CYS . 97.0 t -128.18 116.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -104.66 141.34 36.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 95.2 p -103.35 -39.55 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 33' ' ' SER . 29.0 m -37.3 -56.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 51' ' ' LEU . 26.8 mtmt -114.71 33.93 5.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 29.1 mp0 35.99 45.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 95.2 p -115.1 172.56 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.556 ' SG ' HG13 ' A' ' 31' ' ' VAL . 35.1 m -150.38 134.54 17.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD21 ' HD2' ' A' ' 47' ' ' LYS . 16.8 tp -76.03 92.4 3.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 t -90.47 134.5 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.1 103.7 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -66.88 156.76 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -50.9 -17.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -89.81 31.09 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 44.62 34.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.1 p -116.43 149.18 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.67 ' HD2' HD21 ' A' ' 39' ' ' LEU . 20.0 mtmt -114.51 120.68 41.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.499 ' O ' HG23 ' A' ' 50' ' ' VAL . 8.0 m-85 -124.61 122.62 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 47.4 m95 -67.57 99.56 0.78 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' TYR . 12.3 t -110.13 138.62 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' HZ3' ' A' ' 53' ' ' LYS . 6.7 mt -75.83 141.54 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 11.2 m0 -46.09 -28.93 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 7.9 ptpp? -63.79 -37.7 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.38 26.82 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.0 mt -122.78 110.1 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -92.27 136.27 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -74.31 86.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . -49.05 157.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.45 -164.13 28.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.28 151.22 69.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.4 Cg_endo -69.76 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.8 131.07 0.56 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.906 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -148.74 112.68 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -101.2 141.82 33.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.0 78.77 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -110.57 105.91 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.361 . . . . 0.0 110.845 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 m -87.03 -50.38 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.3 131.69 4.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.818 HD22 HD11 ' A' ' 28' ' ' ILE . 14.1 mt -68.27 169.43 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 t -159.21 163.72 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.44 168.2 13.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.41 26.79 1.67 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.42 135.14 45.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.934 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 25' ' ' LEU . 16.3 m-85 -86.61 116.31 24.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.562 ' O ' HD12 ' A' ' 25' ' ' LEU . 14.8 m -130.07 175.05 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 23' ' ' TYR . 16.4 mt -115.47 151.02 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.1 t -119.88 131.25 55.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -79.55 128.15 33.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' NE1' HG22 ' A' ' 19' ' ' THR . 53.5 t-105 -103.46 166.31 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.436 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.9 t -57.92 -23.06 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' CB ' HD13 ' A' ' 22' ' ' LEU . 78.4 m-20 -92.04 10.7 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.45 13.94 77.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 20' ' ' ASP . 11.0 mp -83.59 161.86 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.696 ' HB3' HD22 ' A' ' 15' ' ' LEU . 36.4 m-85 -122.27 107.18 11.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.48 ' C ' HD23 ' A' ' 15' ' ' LEU . 32.1 m-85 -95.84 126.44 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 14' ' ' VAL . 54.9 tp -73.94 156.49 37.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.55 154.04 22.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.4 tttt -102.92 115.28 30.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.818 HD11 HD22 ' A' ' 8' ' ' LEU . 96.2 mt -58.16 99.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -81.31 -41.15 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -130.93 160.29 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG13 ' SG ' ' A' ' 38' ' ' CYS . 96.0 t -133.35 118.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.4 p -113.98 140.98 47.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.0 p -106.56 -29.06 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -36.33 71.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.799 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' SER . 23.0 mmtm -118.49 23.83 11.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' LYS . 32.5 mt-30 36.86 31.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' LYS . 2.1 m -113.14 174.5 5.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' A' ' 31' ' ' VAL . 10.8 m -151.58 132.24 13.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 47' ' ' LYS . 14.7 tp -72.92 90.98 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.46 118.95 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 m -82.93 98.41 9.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.38 158.22 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 12.5 mp0 -58.74 -13.82 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.84 29.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.12 44.36 15.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 32.6 p -131.71 152.82 50.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' HD2' HD21 ' A' ' 39' ' ' LEU . 25.7 mtmm -116.38 121.86 43.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.1 m-85 -125.92 122.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 39.0 m95 -70.11 94.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.6 t -101.47 143.94 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -80.11 144.64 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.69 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.5 m0 -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -37.49 65.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -96.93 33.07 1.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.8 mt -125.19 107.29 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -94.91 121.88 36.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -59.03 112.93 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.97 155.39 32.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -139.82 133.57 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 63' ' ' GLU . 35.9 m -51.83 147.11 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -43.65 2.52 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.32 -75.5 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' C ' HG23 ' A' ' 60' ' ' VAL . 17.3 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -141.75 157.52 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 m -61.73 128.03 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.16 45.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -111.73 138.46 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -65.02 -43.27 93.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.6 131.98 5.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD11 ' A' ' 28' ' ' ILE . 15.5 mt -74.53 170.25 16.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.5 t -157.86 166.93 31.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' THR . 11.6 mt-10 -68.86 170.55 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 39.94 32.8 0.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.86 134.82 50.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.942 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 25' ' ' LEU . 9.9 m-85 -83.65 118.71 24.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG13 ' NE2' ' A' ' 12' ' ' GLN . 6.7 m -137.66 171.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.161 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 23' ' ' TYR . 21.3 mt -106.52 143.94 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -115.9 130.42 56.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -84.12 112.22 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.5 t-105 -77.6 166.08 23.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.57 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.1 t -48.8 -40.92 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB3' HD23 ' A' ' 22' ' ' LEU . 8.4 t70 -73.76 -20.12 60.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.74 23.63 7.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.4 mm? -88.89 147.39 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 15' ' ' LEU . 65.4 m-85 -106.25 107.32 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.3 m-85 -105.4 133.96 49.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' ' 13' ' ' TYR . 67.2 tp -73.95 140.52 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.3 159.4 29.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -107.72 114.93 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.754 HD11 HD22 ' A' ' 8' ' ' LEU . 68.9 mt -59.55 98.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -81.19 -41.51 22.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -131.58 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.6 t -117.35 112.06 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -100.72 141.74 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -109.12 -37.19 5.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -40.42 -53.74 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' GLN . 72.5 mttt -115.26 35.83 4.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.477 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 28.7 mt-30 35.89 42.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.8 p -112.93 171.03 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.0 m -150.66 131.95 14.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.7 tp -73.76 90.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.66 129.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m -93.27 105.03 17.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.87 155.66 38.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -50.74 -17.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -90.17 33.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m120 42.96 31.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 19.2 p -112.36 147.32 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -115.28 119.07 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.2 m-85 -123.35 123.64 41.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 28.9 m95 -68.76 98.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 48' ' ' TYR . 11.9 t -108.42 142.22 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.11 141.1 37.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 20.1 m0 -44.74 -32.27 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.87 -37.72 88.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.92 26.44 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.1 mt -122.79 103.23 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -86.57 154.0 21.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -89.16 109.58 20.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.35 88.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.25 146.9 16.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.43 151.15 96.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.158 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.71 35.12 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.55 109.98 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -101.2 146.18 27.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -112.39 -56.72 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.16 -76.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -131.86 132.64 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -96.26 -58.17 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.25 -71.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.744 HD22 HD11 ' A' ' 28' ' ' ILE . 17.7 mt -68.17 174.76 3.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 3.0 t -159.28 164.98 34.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.6 mt-10 -67.36 169.72 8.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.67 31.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.86 134.59 50.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -85.88 121.44 28.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.9 m -138.52 168.74 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 23' ' ' TYR . 32.6 mt -108.43 141.84 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.6 t -111.13 132.96 53.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -81.49 106.34 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.8 t-105 -71.96 170.52 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.529 HG22 ' CE2' ' A' ' 18' ' ' TRP . 7.1 t -57.58 -33.66 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 2.2 m-20 -81.06 -10.39 59.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.56 16.29 37.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 20' ' ' ASP . 4.0 mm? -83.99 160.32 21.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 15' ' ' LEU . 60.3 m-85 -115.88 111.54 20.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -105.27 131.78 52.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -74.65 143.64 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.77 147.92 15.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -97.39 113.34 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.744 HD11 HD22 ' A' ' 8' ' ' LEU . 97.0 mt -56.27 98.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -78.42 -42.28 30.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -134.33 159.37 41.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 ' SG ' ' A' ' 38' ' ' CYS . 83.4 t -123.59 110.64 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.1 t -95.85 140.51 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.2 p -109.74 -40.83 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 m -39.56 -50.88 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' GLN . 2.4 mppt? -116.83 36.83 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' LYS . 41.8 mt-30 34.75 42.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.7 m -112.95 175.84 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 31' ' ' VAL . 21.2 m -153.67 129.56 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.0 tp -72.44 92.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.71 134.99 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 m -95.32 101.97 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.6 166.56 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -57.8 -15.47 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -90.87 33.75 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 40.92 29.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -113.99 156.19 24.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 mtmm -115.96 121.77 43.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -122.55 124.09 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 39' ' ' LEU . 25.2 m95 -69.58 97.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.44 143.55 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 5.9 mt -79.34 138.63 37.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.795 ' HA ' HD12 ' A' ' 55' ' ' ILE . 27.6 m0 -44.04 -30.84 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 2.5 ptmt -70.94 -37.82 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-20 -90.68 33.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 52' ' ' TRP . 81.6 mt -129.53 109.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.4 120.61 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -54.37 108.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.74 147.95 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.76 139.74 5.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -50.82 144.3 13.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.626 0.727 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 90.71 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.294 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.74 -120.1 4.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.337 . . . . 0.0 110.883 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 p -100.43 -56.15 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -100.21 165.99 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.15 117.79 4.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -87.81 106.85 18.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -88.71 175.64 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.64 -111.3 2.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 28' ' ' ILE . 16.1 mt -52.12 175.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -162.17 165.39 27.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.34 168.01 15.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.31 27.11 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.68 134.63 46.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 20.6 m-85 -84.77 116.49 23.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG13 ' NE2' ' A' ' 12' ' ' GLN . 10.9 m -135.03 168.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD22 ' HB3' ' A' ' 23' ' ' TYR . 20.0 mt -109.49 145.28 36.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -114.26 129.78 56.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -83.43 109.01 16.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.447 ' NE1' HG22 ' A' ' 19' ' ' THR . 27.6 t-105 -77.67 169.36 18.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.447 HG22 ' NE1' ' A' ' 18' ' ' TRP . 9.6 t -57.31 -27.72 62.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.35 -7.83 59.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.04 9.84 63.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -83.88 145.59 28.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' HB3' HD22 ' A' ' 15' ' ' LEU . 70.0 m-85 -104.43 116.61 32.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.584 ' C ' HD23 ' A' ' 15' ' ' LEU . 98.4 m-85 -108.56 129.26 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 15' ' ' LEU . 31.1 tp -73.82 145.41 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.56 152.62 23.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 57.8 tttt -99.57 114.15 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.764 HD11 HD22 ' A' ' 8' ' ' LEU . 90.4 mt -56.9 98.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -79.31 -39.43 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -135.64 160.57 38.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.11 112.04 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.2 t -95.89 143.81 26.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.4 p -112.61 -41.58 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -40.15 -54.0 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLN . 48.4 mmtt -113.37 36.59 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 35' ' ' LYS . 57.6 mt-30 34.77 41.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.0 m -111.56 175.0 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.1 m -151.98 131.62 13.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HB2' ' CH2' ' A' ' 49' ' ' TRP . 13.3 tp -73.27 96.48 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.3 t -97.82 130.31 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -91.93 99.71 12.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -62.74 160.35 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -53.88 -15.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.23 35.04 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 45' ' ' ASN . 12.5 t-20 42.25 27.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 16.3 p -109.32 151.7 26.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.9 mtmt -116.93 122.43 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.4 m-85 -125.93 126.75 44.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 33.0 m95 -71.74 97.44 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.5 t -102.47 146.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.56 140.69 34.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.669 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.1 m0 -46.47 -29.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -95.22 27.41 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.7 mt -120.83 105.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -87.04 140.15 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -77.38 108.58 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 125.48 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.92 151.79 6.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -43.38 144.28 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.42 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.264 . . . . 0.0 112.364 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.98 153.51 20.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -144.02 134.48 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -66.18 170.53 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.19 76.58 0.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -91.59 40.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 134.1 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.67 -77.56 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.546 HD22 ' CD1' ' A' ' 28' ' ' ILE . 13.6 mt -65.11 173.88 2.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -163.33 163.08 25.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -68.43 167.38 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 46.3 27.33 2.72 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -104.29 134.81 46.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.913 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.657 ' HB3' HD11 ' A' ' 25' ' ' LEU . 32.0 m-85 -85.89 116.05 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 ' CG1' ' NE2' ' A' ' 12' ' ' GLN . 15.9 m -131.46 173.74 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.863 HD22 ' HB3' ' A' ' 23' ' ' TYR . 14.4 mt -110.55 144.1 39.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' HG21 ' A' ' 50' ' ' VAL . 79.7 m -113.45 133.21 55.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -85.41 107.49 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 19' ' ' THR . 36.6 t-105 -76.04 166.53 23.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' NE1' ' A' ' 18' ' ' TRP . 15.4 t -53.25 -40.4 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' HB3' HD23 ' A' ' 22' ' ' LEU . 7.9 t70 -71.6 -22.07 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.79 14.76 16.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD23 ' HB3' ' A' ' 20' ' ' ASP . 4.6 mm? -84.09 149.59 26.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.863 ' HB3' HD22 ' A' ' 15' ' ' LEU . 50.0 m-85 -107.41 102.52 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 97.9 m-85 -95.6 130.98 42.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.657 HD11 ' HB3' ' A' ' 13' ' ' TYR . 55.9 tp -74.21 148.32 41.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.46 154.99 26.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 72.2 tttt -103.55 114.31 28.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.705 0.288 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.546 ' CD1' HD22 ' A' ' 8' ' ' LEU . 80.4 mt -57.98 98.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.21 -41.15 29.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 69.4 ttt180 -131.59 158.38 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.44 117.32 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.5 t -102.18 143.91 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.6 p -112.07 -40.15 4.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -40.58 -53.89 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' GLN . 19.6 mmtp -114.18 35.94 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 42.1 mt-30 36.23 39.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 m -106.17 177.82 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.5 m -159.17 131.04 6.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.637 HD11 ' HB3' ' A' ' 47' ' ' LYS . 15.0 tp -72.68 99.16 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.11 118.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.1 m -82.88 98.43 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 2.9 m-85 -59.8 178.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.88 -16.15 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' OD1' ' CB ' ' A' ' 42' ' ' PHE . 17.1 p-10 -91.66 37.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m120 39.66 44.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.453 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 36.3 p -126.75 149.08 49.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.637 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.4 mtmp? -113.13 115.99 29.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 9.6 m-85 -121.19 123.49 42.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 61.7 m95 -72.87 98.48 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.484 HG21 ' SG ' ' A' ' 16' ' ' CYS . 11.6 t -105.74 144.26 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.44 146.51 40.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 31.6 m0 -50.67 -24.8 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -75.24 -32.77 61.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' HB2' HG12 ' A' ' 50' ' ' VAL . 47.7 m-20 -95.67 27.62 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 99.0 mt -125.69 100.12 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.4 120.62 30.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -51.35 122.82 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' TYR . . . -91.29 -178.66 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.16 -2.01 6.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.44 146.64 71.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -135.61 7.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.931 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -106.93 122.3 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -109.63 106.09 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.13 99.43 2.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -107.38 118.89 37.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -84.92 120.42 26.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.94 -87.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 28' ' ' ILE . 14.3 mt -60.01 168.06 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.7 t -156.64 162.99 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -67.74 169.79 9.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.6 28.06 0.98 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 134.69 47.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.741 ' HB3' HD11 ' A' ' 25' ' ' LEU . 3.9 m-85 -85.53 113.47 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 25' ' ' LEU . 10.8 m -127.06 179.09 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.0 mt -118.11 145.73 44.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.4 t -121.0 129.55 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -82.03 115.25 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CE2' HG22 ' A' ' 19' ' ' THR . 45.3 t-105 -86.49 164.23 17.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.486 HG22 ' CE2' ' A' ' 18' ' ' TRP . 8.7 t -51.67 -40.55 60.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' N ' HG23 ' A' ' 19' ' ' THR . 61.7 m-20 -62.6 -22.55 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.06 23.32 9.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.79 159.47 15.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -112.57 117.6 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.48 132.57 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 13' ' ' TYR . 44.9 tp -76.79 142.87 40.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.78 154.24 25.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 8.7 ttpt -99.93 116.25 31.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 8' ' ' LEU . 96.8 mt -57.6 99.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.39 -38.28 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -138.2 145.88 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.57 HG13 ' SG ' ' A' ' 38' ' ' CYS . 93.9 t -117.48 116.95 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -107.26 140.87 39.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' SER . 90.3 p -104.82 -38.87 6.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' SER . 30.2 m -37.51 -55.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' GLN . 14.4 mttp -114.28 36.05 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 21.9 mp0 34.61 43.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.0 p -113.75 175.25 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.57 ' SG ' HG13 ' A' ' 31' ' ' VAL . 57.3 m -154.93 131.67 10.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.02 91.67 2.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 t -91.3 125.13 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.8 m -86.08 101.13 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -64.74 152.3 42.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -51.3 -17.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.31 24.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m120 50.78 34.34 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 p -122.92 159.16 28.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -118.95 123.54 44.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -124.54 126.31 45.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.94 100.02 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.3 t -108.61 148.97 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.63 141.74 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.7 m0 -46.5 -20.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -75.03 -37.8 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -95.33 28.96 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 52' ' ' TRP . 83.6 mt -125.07 109.5 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -94.89 121.62 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -58.57 102.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.53 167.94 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.0 -179.37 26.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.43 149.74 58.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 111.109 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.96 29.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.59 -51.32 0.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.7 p -174.98 171.56 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.399 . . . . 0.0 110.825 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -84.42 -49.43 8.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.04 135.03 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -91.98 -49.22 6.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.352 . . . . 0.0 110.806 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -42.8 -57.3 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.86 117.94 2.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.923 HD22 HD11 ' A' ' 28' ' ' ILE . 8.2 mt -53.8 176.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.6 t -158.67 163.03 37.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 9' ' ' THR . 13.3 mt-10 -65.45 171.38 4.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.55 31.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.464 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -107.83 134.57 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.681 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.9 m-85 -84.78 119.31 25.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG11 ' CD2' ' A' ' 8' ' ' LEU . 16.9 m -137.12 177.34 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 58' ' ' ALA . 16.2 mt -113.66 142.41 46.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' SG ' HG21 ' A' ' 50' ' ' VAL . 78.5 m -121.5 122.64 40.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 12.4 ttt180 -80.57 112.21 17.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.472 ' NE1' HG22 ' A' ' 19' ' ' THR . 39.0 t-105 -81.53 165.26 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.472 HG22 ' NE1' ' A' ' 18' ' ' TRP . 8.8 t -52.27 -38.15 57.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.23 -22.88 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.26 8.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.528 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.9 mt -119.62 141.33 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.526 ' HB3' HD22 ' A' ' 15' ' ' LEU . 63.7 m-85 -93.46 126.51 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.538 ' C ' HD23 ' A' ' 15' ' ' LEU . 74.8 m-85 -115.75 138.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 13' ' ' TYR . 64.2 tp -74.72 154.95 38.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 154.17 21.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HE3' ' CA ' ' A' ' 11' ' ' GLY . 58.0 tttt -101.2 113.76 27.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 HD22 ' A' ' 8' ' ' LEU . 93.9 mt -57.23 100.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -81.71 -39.23 24.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -134.12 162.53 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG13 ' SG ' ' A' ' 38' ' ' CYS . 99.2 t -132.62 112.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 140.42 39.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.5 t -109.12 -30.61 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.5 m -44.49 -48.5 10.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' GLN . 53.4 mttt -118.86 32.69 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 84.6 mt-30 38.07 46.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 m -119.52 175.63 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 31' ' ' VAL . 14.7 m -156.35 130.55 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.614 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.3 tp -72.4 91.75 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.49 125.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.5 m -88.01 99.33 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -61.35 162.93 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 5.5 mp0 -59.55 -18.38 40.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.31 29.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m120 47.58 35.84 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . 27.7 p -120.0 149.12 42.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.4 mtmt -115.9 121.79 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 46' ' ' SER . 8.7 m-85 -126.31 125.56 42.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -69.51 99.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.505 HG21 ' SG ' ' A' ' 16' ' ' CYS . 21.9 t -105.73 147.28 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' ASP . 9.7 mt -79.45 138.25 37.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 55' ' ' ILE . 34.3 m0 -43.92 -32.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -37.72 80.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . 76.9 m-20 -89.76 29.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 52' ' ' TRP . 95.0 mt -126.49 103.05 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 57' ' ' HIS . 1.7 tm0? -90.06 127.99 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.405 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 14.1 m170 -60.85 93.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -64.19 150.16 46.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.56 119.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -71.9 148.72 92.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.711 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 128.99 16.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.84 61.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -87.1 -60.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -80.19 100.55 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 86.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -73.75 117.7 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -114.92 -47.16 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.87 -92.35 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 28' ' ' ILE . 13.1 mt -73.76 165.65 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 10' ' ' GLU . 4.8 t -157.53 172.46 18.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . 11.3 mt-10 -73.76 170.8 14.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 38.93 33.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -107.56 134.61 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.927 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.855 ' HB3' HD11 ' A' ' 25' ' ' LEU . 12.1 m-85 -85.48 122.18 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.13 173.95 9.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 23' ' ' TYR . 28.4 mt -108.68 142.56 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 50' ' ' VAL . 72.9 m -112.35 133.09 54.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -86.24 103.17 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.699 ' CE2' HG22 ' A' ' 19' ' ' THR . 31.6 t-105 -71.69 163.3 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.699 HG22 ' CE2' ' A' ' 18' ' ' TRP . 5.7 t -50.42 -40.0 48.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' HD23 ' A' ' 22' ' ' LEU . 4.6 m-20 -71.76 -18.88 62.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.28 32.96 5.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HB2' ' A' ' 20' ' ' ASP . 3.7 mm? -99.22 154.09 18.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' HB3' HD22 ' A' ' 15' ' ' LEU . 46.5 m-85 -113.42 99.17 7.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.445 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 87.1 m-85 -99.66 134.51 42.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 13' ' ' TYR . 37.9 tp -76.6 141.89 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.487 ' H ' HD12 ' A' ' 25' ' ' LEU . . . -157.37 156.88 27.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HD2' ' CE1' ' A' ' 13' ' ' TYR . 64.7 tttt -102.16 119.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 8' ' ' LEU . 96.0 mt -61.59 98.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -75.32 -41.91 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -134.46 162.12 33.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' SG ' ' A' ' 38' ' ' CYS . 95.5 t -130.72 117.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -106.38 142.0 36.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -107.97 -35.94 6.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -47.36 -44.57 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' GLN . 58.8 mttt -119.2 31.87 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' LYS . 36.8 mt-30 34.44 40.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 p -113.55 171.48 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.6 ' SG ' HG13 ' A' ' 31' ' ' VAL . 20.0 m -149.85 130.64 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 47' ' ' LYS . 15.2 tp -72.56 91.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.95 137.7 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -99.74 109.87 22.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.2 m-85 -74.71 157.27 35.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.64 -18.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.57 36.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 38.86 37.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.0 p -118.29 149.91 40.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' HD2' HD21 ' A' ' 39' ' ' LEU . 28.5 mtmt -116.48 122.2 44.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -125.97 125.22 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -67.8 95.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.542 HG21 ' SG ' ' A' ' 16' ' ' CYS . 82.5 t -103.21 128.9 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.79 141.24 53.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 55' ' ' ILE . 24.7 m0 -45.96 -32.26 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -63.69 -37.53 87.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.32 31.79 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 52' ' ' TRP . 96.5 mt -125.43 110.72 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -94.63 138.12 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -75.06 98.44 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . . . -68.74 117.02 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.25 2.46 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.55 144.27 39.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -9.83 27.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.34 166.91 24.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.885 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m 47.23 42.36 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -90.99 117.16 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.77 -85.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 59.47 42.32 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -106.78 124.45 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.36 -77.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.89 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.6 mt -71.23 163.7 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -158.15 162.81 37.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 9' ' ' THR . 22.1 mt-10 -67.0 169.28 8.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.05 30.5 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -106.7 135.22 48.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.317 . . . . 0.0 110.93 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 3.8 m-85 -86.79 112.28 21.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.664 ' O ' HD12 ' A' ' 25' ' ' LEU . 12.6 m -128.56 -179.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.7 mt -117.95 151.67 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 50' ' ' VAL . 13.9 t -129.35 125.03 35.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 23' ' ' TYR . 11.7 tpt180 -71.14 140.92 50.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -111.32 166.98 10.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -57.18 -29.56 63.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.83 -9.78 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.69 31.29 13.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.535 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.0 mt -115.88 148.47 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.0 m-85 -100.91 122.85 44.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' C ' HD23 ' A' ' 15' ' ' LEU . 44.4 m-85 -108.39 132.92 53.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 14' ' ' VAL . 42.3 tp -73.7 146.86 44.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -164.77 144.72 9.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 9.7 ttpt -94.27 117.36 30.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.89 ' CD1' HD22 ' A' ' 8' ' ' LEU . 73.4 mt -61.26 98.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.5 -41.43 32.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -131.26 160.82 33.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 ' SG ' ' A' ' 38' ' ' CYS . 86.4 t -132.66 118.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -107.53 141.44 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.9 p -105.38 -25.83 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -49.61 -58.17 5.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 35.47 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 41.2 mt-30 37.22 41.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.8 p -111.87 173.6 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.631 ' SG ' HG13 ' A' ' 31' ' ' VAL . 36.0 m -152.97 134.11 14.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.92 92.06 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.4 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.1 t -90.56 134.11 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -97.0 104.51 16.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.1 m-85 -68.05 154.83 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.56 -17.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -88.67 31.44 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 45.06 31.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 45.0 p -113.45 150.0 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -116.67 122.34 44.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 8.5 m-85 -126.04 129.07 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -74.07 96.85 2.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG21 ' SG ' ' A' ' 16' ' ' CYS . 18.2 t -106.19 143.77 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -80.41 142.43 34.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 19.4 m0 -47.04 -23.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -70.55 -37.8 74.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -98.23 25.71 5.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.4 mt -121.16 102.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -86.49 145.37 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -81.67 98.38 8.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.69 122.06 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.64 166.75 0.45 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.2 m -47.94 144.37 5.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.643 2.228 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.79 113.57 1.7 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -61.15 89.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -111.87 172.98 6.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.58 -62.83 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -133.91 172.95 12.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.858 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -138.12 122.38 18.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.4 130.21 6.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 28' ' ' ILE . 12.8 mt -64.96 170.46 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' GLU . 2.8 t -161.89 162.76 29.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 9' ' ' THR . 19.8 mt-10 -65.81 172.21 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 40.74 29.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.726 ' HB3' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -105.74 135.61 46.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -86.82 115.33 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 8' ' ' LEU . 12.1 m -129.33 171.44 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 23' ' ' TYR . 18.3 mt -113.5 140.92 47.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -107.73 131.54 54.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -84.65 111.9 19.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -86.53 162.09 18.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -56.08 -19.22 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.01 13.56 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.45 70.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.31 160.98 15.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 15' ' ' LEU . 49.7 m-85 -122.17 110.03 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 96.7 m-85 -101.57 130.32 47.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -74.28 152.8 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.449 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -169.2 147.45 11.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -96.91 115.17 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 12' ' ' GLN . 56.9 mt -60.15 98.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -83.35 -39.64 20.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 29.8 ttp180 -131.26 152.76 50.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG13 ' SG ' ' A' ' 38' ' ' CYS . 98.7 t -121.57 113.1 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . 1.3 t -98.51 141.59 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.2 p -108.56 -40.95 4.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -38.14 -53.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' GLN . 18.3 mmtp -115.88 36.61 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 52' ' ' TRP . 75.9 mt-30 34.61 41.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -108.35 179.99 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.445 ' SG ' HG13 ' A' ' 31' ' ' VAL . 6.6 m -157.59 132.37 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD13 ' CE2' ' A' ' 49' ' ' TRP . 14.7 tp -74.75 90.49 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 26' ' ' GLY . 1.4 t -91.06 122.98 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 m -85.39 99.01 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 24' ' ' TYR . 3.0 m-85 -62.37 163.73 8.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.75 -11.16 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.88 26.32 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m120 49.5 29.35 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -117.55 165.64 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -124.76 123.31 39.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -125.99 123.01 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 32' ' ' SER . 55.3 m95 -71.68 96.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.5 t -102.41 144.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 mt -79.92 139.92 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.712 ' HA ' HD12 ' A' ' 55' ' ' ILE . 31.1 m0 -46.4 -31.8 2.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -62.76 -36.19 82.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -101.62 27.72 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 52' ' ' TRP . 87.0 mt -119.14 103.98 15.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.62 143.01 27.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -80.96 86.88 6.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.34 107.56 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.66 140.07 2.83 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 m -41.48 151.94 0.29 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -34.26 15.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.7 -83.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 -179.842 . . . . . . . . 0 0 . 1 stop_ save_