data_2mte_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 2mte _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 125.92 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 26.2 m-85 -60.51 92.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.12 -28.45 3.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.411 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -73.48 92.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -86.29 -32.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -77.67 -9.06 58.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.421 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 58.5 57.73 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.03 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -112.36 -16.79 12.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.26 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.08 20.43 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.556 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -167.3 147.28 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.5 99.84 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -109.05 171.26 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -60.61 -31.38 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 m -59.59 -30.94 69.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.24 -31.75 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.06 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.02 -35.07 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -46.6 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.07 -37.99 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.72 -32.42 70.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -41.97 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CG ' HD13 ' A' ' 33' ' ' ILE . 73.9 t80 -66.93 -45.5 77.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -59.35 -31.85 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -76.38 -6.36 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 mtt85 62.56 43.58 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.946 0.403 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -24.15 30.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.6 40.24 2.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 tt -102.52 130.27 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 t -81.47 120.5 25.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.419 HD13 ' CG ' ' A' ' 25' ' ' TYR . 25.3 pt -141.6 179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.4 86.05 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -56.24 -30.93 63.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -80.4 -31.17 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.92 89.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -59.19 98.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.64 -26.72 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.51 -10.17 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.423 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 39.34 6.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -77.35 -16.62 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.57 -13.77 42.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.99 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -149.04 147.58 28.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.96 97.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -111.43 -178.12 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.987 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -29.25 59.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -58.88 -50.3 74.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -57.97 -40.46 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.0 -52.15 66.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.64 -40.12 94.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.389 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.59 -42.36 94.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 0.0 110.932 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.58 -42.6 98.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -68.47 -44.05 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -62.92 -36.01 81.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.406 ' CE1' HD21 ' A' ' 65' ' ' LEU . 72.6 t80 -59.57 -42.9 93.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -79.45 -16.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.406 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.63 19.62 8.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.219 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.6 mttp 55.89 39.67 30.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.28 -33.65 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.43 127.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.51 -26.09 9.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -78.41 115.24 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD21 ' CE1' ' A' ' 57' ' ' TYR . 2.6 mp -137.48 151.96 72.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HB3' ' CE2' ' A' ' 5' ' ' TYR . 77.4 Cg_endo -77.67 167.42 78.95 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.341 -1.524 . . . . 0.0 112.433 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.5 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.811 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 84.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.49 117.13 33.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -61.53 107.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.71 4.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -131.6 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -84.63 -29.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.75 -8.88 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 60.1 57.12 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -113.17 -16.72 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.92 19.41 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.624 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.91 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.55 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.09 171.26 7.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -58.71 -30.49 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -58.97 -31.4 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -65.56 -35.61 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.79 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.16 -34.11 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.79 85.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.38 -43.18 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.23 -43.8 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -60.39 -33.26 72.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CG ' HD12 ' A' ' 33' ' ' ILE . 85.5 t80 -75.3 -43.03 53.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.23 -30.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 tp -84.9 -11.54 55.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 61.7 55.69 2.64 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 32.49 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.5 40.16 96.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -109.62 129.48 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.44 124.79 40.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 HD12 ' CG ' ' A' ' 25' ' ' TYR . 27.4 pt -146.0 -177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.262 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -92.25 105.78 17.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.56 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -74.99 -30.02 61.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.11 -43.32 95.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.451 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -81.33 -36.26 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.25 80.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -59.46 97.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.69 -23.41 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -102.55 -10.14 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.472 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 61.31 38.58 16.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 p30 -77.28 -16.76 58.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.15 -13.66 44.47 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -153.28 151.14 29.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.99 97.34 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.967 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -108.24 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.978 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -56.16 -29.79 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -59.76 -47.77 84.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.28 -43.2 87.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.71 -34.08 69.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.45 -33.72 42.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.146 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.6 mt -70.64 -36.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -44.21 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -38.56 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -63.08 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.792 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -64.28 -39.58 94.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mt -76.78 -24.2 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 6.86 29.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.413 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.93 32.69 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -95.36 -32.04 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 pt -127.68 127.02 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.44 -29.35 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -82.01 120.33 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.018 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -137.8 154.58 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.766 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.17 169.42 74.6 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.255 -1.56 . . . . 0.0 112.545 0.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.996 -179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 102.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.14 118.69 29.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.41 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.35 40.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -132.1 77.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -73.53 -37.53 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.343 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -77.69 -8.98 58.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.398 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 58.99 56.0 4.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.887 0.375 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -110.03 -16.75 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.22 23.13 20.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.567 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -167.25 135.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.03 99.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -112.77 171.35 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.17 -30.83 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -59.31 -30.64 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.17 -36.24 81.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.776 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.6 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.38 -31.05 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -43.26 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.11 -34.24 76.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -62.21 -48.58 79.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -59.02 -36.35 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 33' ' ' ILE . 55.6 t80 -64.47 -48.36 75.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.55 -21.65 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.56 14.15 15.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.387 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 56.18 39.22 30.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.701 0.286 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -70.58 -34.99 72.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.31 39.39 2.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 tt -117.71 126.73 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 m -72.73 143.49 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.429 HD12 ' CD2' ' A' ' 25' ' ' TYR . 24.8 pt -150.28 -177.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.21 106.24 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -73.82 -30.91 62.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -43.26 98.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -87.18 -34.82 18.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.37 82.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -66.31 97.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.7 mt -88.68 -24.19 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -101.47 -8.77 21.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.42 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 60.92 39.41 16.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.807 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -77.42 -16.52 58.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.78 43.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -154.58 152.61 30.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.04 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -111.43 -177.46 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.009 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -28.9 49.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -48.36 81.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -59.59 -37.88 79.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.687 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.29 -36.14 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.5 14.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.15 -43.1 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 tp -61.79 -47.87 83.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -63.81 -41.99 97.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.89 -40.46 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.56 -43.26 90.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 mt -75.52 -17.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -92.52 16.87 11.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.97 37.17 28.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.74 -40.1 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 pt -131.98 131.42 61.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.07 -22.69 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -78.45 123.76 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mp -136.99 155.13 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.64 168.82 76.1 Favored 'Cis proline' 0 C--N 1.346 0.437 0 C-N-CA 123.344 -1.523 . . . . 0.0 112.404 0.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -62.3 87.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 118.72 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -56.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.23 -25.38 4.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.597 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.0 91.58 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 m -86.25 -30.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -86.99 -8.98 56.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 62.08 54.5 2.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -103.6 -16.74 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.88 17.43 23.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 161.45 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.52 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -112.0 -170.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -73.38 -30.48 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 m -58.06 -30.38 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.89 -31.24 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -51.04 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.58 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.66 79.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.49 -32.01 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -65.61 -35.74 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -65.93 -48.75 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -57.94 -43.02 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.68 -19.61 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -95.87 25.02 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.13 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.33 30.01 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -67.81 -33.27 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.43 39.96 9.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -100.99 134.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 t -74.09 123.96 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 pt -146.8 175.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 101.2 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.528 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.1 p -67.98 -30.72 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -43.24 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.352 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -79.92 -38.04 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.816 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.08 85.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -64.67 103.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.56 -32.97 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -94.22 -11.32 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.476 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 59.54 40.85 19.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -77.33 -12.37 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.53 4.29 37.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.052 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -167.24 148.05 5.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.04 97.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -111.34 -178.67 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -29.66 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -58.38 -50.56 73.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -58.95 -42.21 89.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.58 -43.29 97.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.36 -28.88 74.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.234 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.06 -36.18 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -37.59 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -65.22 -48.62 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.26 -38.47 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.417 ' CE1' HD21 ' A' ' 65' ' ' LEU . 48.4 t80 -62.6 -44.31 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.2 mt -72.88 -21.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mp -93.06 16.74 12.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.78 20.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.59 -45.25 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.9 pt -113.48 135.42 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.92 -29.03 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -79.14 122.25 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.072 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 57' ' ' TYR . 1.2 mp -140.53 148.99 55.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.31 176.61 43.08 Favored 'Cis proline' 0 C--N 1.345 0.391 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.392 0.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.1 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.771 0.319 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.0 88.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -110.19 124.16 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.73 105.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.85 32.18 2.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -133.16 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.23 -33.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -77.65 -8.95 58.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.74 58.57 2.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -112.65 -16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.65 22.24 16.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -167.26 156.97 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.8 99.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -110.62 172.49 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -62.67 -32.33 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.3 m -59.96 -29.63 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.21 -31.1 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.42 21.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.5 -40.91 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.73 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.31 -37.03 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -59.98 -45.82 91.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -60.35 -39.04 85.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CG ' HD11 ' A' ' 33' ' ' ILE . 20.1 t80 -60.26 -50.61 72.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.8 -18.96 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.363 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -84.59 6.2 24.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.491 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.34 34.62 10.41 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -31.33 63.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.66 31.0 7.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 tt -90.8 145.23 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -91.46 115.75 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' CG ' ' A' ' 25' ' ' TYR . 28.2 pt -132.96 -177.67 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -95.8 104.56 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -73.61 -31.27 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.12 -34.35 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.13 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -64.42 98.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.6 mt -87.27 -27.6 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -97.95 -11.37 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.86 38.79 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -77.3 -16.6 58.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.84 9.95 41.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.915 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.17 143.18 4.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.1 97.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -110.27 179.1 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -58.94 -29.65 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.761 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.5 m -59.88 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.17 -41.45 88.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.88 -32.38 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.69 -34.0 40.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.1 mt -68.54 -30.26 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -50.04 26.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -60.73 -44.2 96.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -63.92 -31.48 72.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -69.55 -32.32 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 mt -84.33 -21.71 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.04 22.24 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 53.51 29.9 9.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -89.35 -31.16 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 pt -139.01 127.41 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -111.33 13.42 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -109.51 109.43 20.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 66' ' ' PRO . 5.7 tp -133.23 140.6 37.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 71.6 Cg_endo -78.05 171.33 67.2 Favored 'Cis proline' 0 C--N 1.347 0.488 0 C-N-CA 123.338 -1.526 . . . . 0.0 112.409 0.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 94.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -115.31 154.26 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.33 -27.29 8.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.94 83.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -81.72 -33.05 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.65 -8.97 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 61.31 51.17 4.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -112.66 -16.86 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.28 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.92 25.24 17.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 130.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.739 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.22 99.37 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -112.79 -177.04 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -30.34 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -64.17 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -30.62 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.42 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.39 -40.58 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.8 tp -70.53 -31.11 68.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -44.35 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -60.03 -46.9 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.45 -50.51 73.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.0 t -65.4 -25.41 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.238 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.59 9.09 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 59.23 48.31 10.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -35.05 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.22 33.01 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 31' ' ' ILE . 12.0 tt -112.02 130.33 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -77.48 133.02 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.5 pt -148.5 176.58 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.79 103.83 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p -75.16 -30.73 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -43.24 96.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.565 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.96 -38.1 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.87 88.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.84 97.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.741 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -88.06 -22.75 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.298 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -104.23 -7.38 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.452 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.32 39.71 15.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.45 -16.53 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 10.99 57.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.937 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -167.2 144.13 4.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -83.1 97.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.41 -178.22 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -58.83 -29.26 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -58.56 -50.32 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -40.85 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.53 -35.13 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.66 -31.49 58.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.333 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.9 mt -75.11 -31.24 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -49.19 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -48.61 80.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.82 -48.05 83.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.72 -19.96 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.384 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.38 15.04 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.384 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 55.43 29.05 12.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -90.78 -39.98 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 pt -122.93 126.37 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.75 13.42 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 m -104.76 106.39 16.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.812 0.339 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.4 tp -134.11 138.99 31.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.93 163.49 90.04 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.518 0.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 82.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.44 124.56 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 66' ' ' PRO . 80.5 m-85 -59.13 101.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.7 -27.47 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.53 83.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.98 -28.43 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.311 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -89.18 8.86 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.394 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.5 53.04 5.9 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.83 0.348 . . . . 0.0 111.588 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -105.49 -16.81 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.232 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.14 24.69 21.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -167.24 138.71 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.24 99.48 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -110.72 170.42 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 p -61.15 -31.48 71.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -59.61 -30.6 68.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.74 -41.15 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.09 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.75 -40.48 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.36 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.21 -36.17 83.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -41.7 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -66.03 -31.98 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CG ' HD12 ' A' ' 33' ' ' ILE . 61.8 t80 -64.93 -44.93 87.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.98 -29.61 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.41 -9.95 59.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.361 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.38 55.6 1.38 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 p -101.27 18.52 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.39 29.58 75.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.59 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -88.7 125.58 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 117.88 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.419 HD12 ' CG ' ' A' ' 25' ' ' TYR . 32.5 pt -139.89 -177.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -92.08 104.44 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -75.54 -31.02 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -81.1 -35.11 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.63 78.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.53 100.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.82 -28.81 24.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -98.21 -11.27 22.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 61.01 40.03 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -77.43 -16.56 58.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 6.55 35.65 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.095 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -167.33 146.01 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.04 96.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -111.48 -178.85 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.3 t -60.53 -29.34 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -51.36 70.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.78 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.1 -41.06 82.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.19 -34.43 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.17 -35.39 49.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.366 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -70.89 -37.35 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.6 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.12 -35.56 80.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -43.61 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.33 -37.38 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.84 -18.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.59 19.85 9.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.242 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 tttt 55.51 30.89 15.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.74 -41.33 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.11 130.73 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 -27.79 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.1 m -78.46 113.98 16.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -136.99 152.65 74.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 5' ' ' TYR . 73.5 Cg_endo -77.31 171.21 68.8 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.366 -1.514 . . . . 0.0 112.485 0.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 82.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.53 127.18 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -58.8 107.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.39 -27.42 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.25 82.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -80.92 -29.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -82.52 -8.96 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.76 55.28 3.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -110.66 -16.75 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.57 16.55 24.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.654 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 160.82 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 t -96.53 101.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -109.34 170.74 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -59.31 -29.88 67.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.3 m -57.94 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.95 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.66 79.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.4 -33.93 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -39.98 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.24 -33.73 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -47.29 76.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -62.2 -30.51 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CG ' HD13 ' A' ' 33' ' ' ILE . 43.8 t80 -68.46 -53.74 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.95 -30.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.53 -9.44 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.297 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 63.75 54.84 1.75 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.941 0.4 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.1 p -97.49 18.92 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.33 37.9 94.42 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -100.53 145.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -103.53 133.39 48.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 HD13 ' CG ' ' A' ' 25' ' ' TYR . 37.1 pt -152.73 -177.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -90.18 104.54 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -75.82 -28.67 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -43.37 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.576 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -88.45 -30.33 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.88 73.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -60.71 98.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.19 -29.39 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -95.56 -11.31 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.432 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 60.78 37.49 18.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.42 -12.58 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.251 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.6 -13.66 42.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.926 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -154.13 152.71 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.35 97.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -111.41 -177.0 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -55.01 -29.23 56.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -59.64 -48.19 82.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -58.24 -45.8 87.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.25 70.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.36 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 mt -77.79 -33.53 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.975 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -36.46 57.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.781 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -53.77 42.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -63.94 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -60.14 -49.8 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.67 -18.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 16.31 11.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 30.09 16.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.29 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 pt -117.98 130.3 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.63 13.4 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 m -108.51 106.37 16.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.821 0.343 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mp -134.11 157.49 77.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.11 163.71 90.02 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.239 -1.567 . . . . 0.0 112.435 0.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.9 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.97 83.21 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 145.29 35.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.36 100.3 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.14 -28.2 5.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.17 81.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -82.86 -30.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.4 -8.29 59.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 63.13 55.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.951 0.405 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -114.24 -16.74 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.02 20.12 24.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.574 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -167.22 143.87 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.1 99.43 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -112.81 -177.49 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -59.61 -31.12 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -59.17 -31.32 68.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -68.42 -31.33 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.18 68.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.96 -33.09 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -42.32 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 tp -67.45 -31.12 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -38.61 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -63.37 -34.88 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.44 -47.9 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.1 t -60.83 -21.32 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -89.15 9.93 23.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.399 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 57.66 34.82 24.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.988 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -71.38 -31.15 66.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.11 28.5 6.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 tt -91.62 150.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -99.65 123.5 43.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 pt -138.8 -177.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.82 105.27 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -72.39 -29.92 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -43.26 96.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.616 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -80.2 -37.42 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.62 85.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -59.22 98.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.65 -24.02 24.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -102.28 -6.93 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 60.72 38.19 18.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -77.43 -16.41 58.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.79 16.18 52.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.831 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.68 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.703 0.287 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.63 97.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.65 -177.39 3.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -58.15 -29.14 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.21 -43.2 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.84 -38.31 78.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.399 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.82 -30.61 70.3 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.969 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 67' ' ' TYR . 24.3 mt -79.24 -28.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.811 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -52.26 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -61.96 -42.74 99.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -58.88 -32.92 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -72.42 -34.55 67.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -84.02 -23.05 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.84 19.11 9.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 55.08 30.87 15.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.68 -32.74 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.83 126.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.68 13.41 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.2 m -118.94 106.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.05 152.52 70.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.47 162.35 92.03 Favored 'Cis proline' 0 C--N 1.347 0.464 0 C-N-CA 123.315 -1.535 . . . . 0.0 112.417 0.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 53' ' ' ILE . 76.9 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 87.14 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.78 128.18 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 98.3 m-85 -59.68 115.99 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.49 -28.1 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.55 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.28 86.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -85.49 -31.93 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.7 -8.96 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.19 56.87 2.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -110.42 -16.74 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.01 17.74 24.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.688 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.27 157.48 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -109.71 169.33 8.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 -30.86 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 m -58.7 -28.58 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.92 -40.23 96.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.01 45.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.18 -34.78 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.72 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -69.91 -31.24 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -65.34 -39.35 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -40.82 91.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.5 -56.14 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.45 -17.1 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.18 21.81 4.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 44.56 38.17 2.53 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.456 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.07 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.15 31.59 5.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -99.93 145.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.66 120.41 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 pt -129.74 -177.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -91.48 107.51 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.01 -29.62 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.34 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -84.34 -35.67 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.91 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -62.68 98.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.5 -25.24 22.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -100.73 -8.13 23.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.393 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.73 39.26 14.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -77.34 -16.61 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.39 -13.65 43.46 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.061 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.94 149.28 28.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.04 100.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -111.32 -178.44 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.6 m -56.2 -30.81 62.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -60.47 -47.8 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.68 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.59 -41.12 80.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.32 -39.85 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.682 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.19 -35.93 56.65 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.42 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 mt -66.24 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -67.77 -41.18 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -61.59 -43.81 98.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.95 -36.59 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 mt -73.26 -28.37 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.266 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.25 23.79 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.211 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 52.65 28.5 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -83.3 -30.7 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 pt -135.2 133.56 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.14 13.38 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -122.77 115.67 22.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.71 0.29 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.31 151.37 78.2 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 71.7 Cg_endo -76.7 166.61 82.23 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 123.37 -1.512 . . . . 0.0 112.402 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.44 91.73 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.05 164.96 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -85.6 106.3 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.27 7.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -68.81 80.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.99 -35.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -78.12 -8.92 58.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 t0 60.94 54.29 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -110.15 -16.84 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.75 23.01 12.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -167.2 161.28 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -109.2 99.44 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.83 172.7 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 p -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 t -59.79 -29.85 68.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.37 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.79 -38.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.33 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.31 -41.47 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -67.6 -31.4 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CG ' HD11 ' A' ' 33' ' ' ILE . 60.1 t80 -71.61 -39.06 70.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -66.44 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.57 -3.24 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.339 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.19 55.61 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -93.28 15.7 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.43 40.21 96.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.572 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 tt -106.93 127.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -86.03 119.08 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 25' ' ' TYR . 25.1 pt -138.72 171.69 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.4 97.92 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.3 p -64.14 -29.92 71.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -43.28 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.461 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.41 -34.57 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.733 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.27 85.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.18 99.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.52 -27.57 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -97.4 -11.27 24.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.12 37.97 20.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.38 -16.5 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.52 -13.68 42.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.36 144.41 28.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -82.94 97.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.36 -177.54 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -55.87 -28.61 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -52.23 66.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.4 -40.38 74.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.02 -47.39 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.23 -38.12 95.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.328 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.3 mt -60.09 -43.85 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -47.71 81.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -63.71 -48.59 76.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.65 -33.07 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.03 -41.63 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mt -86.35 -10.52 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.579 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.86 21.22 7.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.229 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.4 28.28 7.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -93.33 -36.66 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.86 116.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -109.14 13.51 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -110.67 106.43 15.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.72 151.43 54.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.31 171.62 67.21 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.321 -1.533 . . . . 0.0 112.366 -0.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -75.34 82.94 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 134.5 40.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -72.36 103.88 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.66 24.81 4.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.596 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.4 84.96 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.774 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -78.86 -29.14 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.95 -9.0 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 t70 56.6 56.4 5.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -112.19 -16.76 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.9 22.18 18.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.636 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.31 136.26 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.772 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.52 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.038 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -111.47 171.23 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -61.14 -30.38 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.8 m -58.83 -31.26 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.05 -31.37 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.89 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.75 -35.8 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.18 89.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.93 -33.45 75.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.37 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -59.86 -31.58 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.0 -54.9 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.78 -25.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.17 0.43 36.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.74 39.74 6.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 -31.01 57.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.51 31.42 4.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.72 116.6 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.088 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 130.96 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 pt -134.39 -178.95 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.79 106.81 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.519 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -72.92 -29.23 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -43.41 98.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -88.29 -32.57 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.73 -46.94 83.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -57.94 97.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -88.7 -25.65 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.44 -11.13 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.91 37.2 12.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -77.44 -16.58 58.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -13.68 58.36 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.885 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -142.38 141.69 32.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.02 97.17 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -110.54 -179.46 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -58.63 -31.01 67.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 m -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -60.23 -38.67 84.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.96 -35.68 79.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.49 -28.3 61.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 mt -76.29 -29.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.61 -59.3 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -59.58 -43.36 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.05 -29.98 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.83 -24.38 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.25 23.54 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 54.83 39.0 31.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.93 -36.99 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.8 pt -132.99 138.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.22 -21.83 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -78.44 124.14 27.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 tp -147.93 140.1 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.16 168.96 75.49 Favored 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.49 0.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.945 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.2 95.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.54 160.21 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -86.11 112.52 21.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.95 -28.85 14.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.432 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -71.05 88.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -82.38 -30.02 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.351 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -83.66 -8.91 59.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.23 52.52 4.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.93 0.395 . . . . 0.0 111.022 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -105.41 -16.82 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.65 24.54 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.569 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.34 100.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -111.6 170.69 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -30.6 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.3 m -58.44 -30.8 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.01 -32.95 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.45 -54.01 12.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.63 -39.01 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.36 93.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.6 tp -64.48 -32.57 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.9 -44.97 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -39.86 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -64.76 -45.4 86.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -73.13 -20.77 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.4 tp -80.81 0.45 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.509 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 66.4 35.0 5.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.893 0.378 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -80.43 -38.58 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.37 40.27 2.1 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.35 153.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -99.95 120.15 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.4 pt -144.37 168.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.24 97.19 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.4 p -66.13 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -43.41 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.466 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -79.43 -36.18 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -59.33 98.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.6 mt -88.49 -23.74 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -102.72 -5.08 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.497 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 60.3 39.62 18.69 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -77.32 -16.64 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.5 8.33 58.57 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.017 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.29 146.85 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.98 97.14 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -111.43 -179.58 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -59.14 -30.95 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.36 -48.17 82.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -58.74 -41.81 87.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.6 -32.84 70.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.41 -35.28 33.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.306 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.59 -32.82 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.861 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -44.21 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.806 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -60.77 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.96 -48.37 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 HG22 HD13 ' A' ' 58' ' ' ILE . 48.5 mt -68.13 -20.53 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.0 8.96 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt 60.31 30.72 20.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -93.74 -34.78 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 pt -130.01 128.44 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.17 13.49 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -112.73 106.51 14.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -125.3 154.75 72.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.46 161.45 93.78 Favored 'Cis proline' 0 C--N 1.345 0.373 0 C-N-CA 123.307 -1.539 . . . . 0.0 112.384 0.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.764 0.316 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 98.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.15 127.25 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -65.28 113.56 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.19 6.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -128.62 84.65 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -80.65 -36.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.311 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.85 -8.98 58.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 t0 60.03 58.17 2.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -113.16 -16.81 12.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.279 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.25 23.83 18.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.22 144.3 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.3 100.21 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.43 172.77 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 t -59.34 -31.15 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.9 -33.08 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -53.51 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.35 -35.31 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.95 96.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -69.21 -31.03 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.79 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -45.21 82.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CG ' HD12 ' A' ' 33' ' ' ILE . 18.9 t80 -58.33 -49.68 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.53 -17.51 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.357 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.06 20.25 6.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.406 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 57.05 30.24 17.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -71.43 -31.23 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.77 28.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.417 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.48 148.81 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 116.68 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 HD12 ' CG ' ' A' ' 25' ' ' TYR . 24.5 pt -128.06 -178.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.79 104.29 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.616 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.7 p -69.8 -30.31 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.648 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.33 95.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.444 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.9 -38.55 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.01 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.13 97.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.98 -24.21 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.276 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -103.29 -5.77 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.498 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.59 39.54 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -77.38 -16.58 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.35 -13.7 43.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.032 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -155.72 151.52 27.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.03 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -110.88 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -55.87 -30.18 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.56 -44.6 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -61.15 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.17 -33.27 62.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.652 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.72 -28.11 57.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.274 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.45 -44.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -50.37 61.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -59.94 -47.05 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -63.34 -41.33 98.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.28 -42.73 87.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.33 -18.74 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.331 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.57 21.41 7.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.223 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 55.18 29.05 11.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.32 -31.91 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.98 130.39 25.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.76 -14.58 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -78.41 106.6 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -129.19 139.56 36.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.17 173.12 59.71 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.474 -1.469 . . . . 0.0 112.481 0.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.3 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -70.22 90.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 125.66 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.16 118.16 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.52 28.14 8.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -125.91 79.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.23 -36.15 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -78.35 -9.03 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.407 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.43 58.87 2.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -112.24 -16.79 12.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.4 21.94 23.25 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.553 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.27 137.46 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.39 99.43 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.8 171.15 7.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.9 p -59.0 -30.27 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.6 m -59.47 -30.66 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.73 -37.15 76.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.42 69.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.97 -32.08 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.72 68.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.88 -44.04 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -37.78 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.21 -53.54 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.23 -17.59 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.486 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -88.69 12.54 14.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.443 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 58.85 38.72 24.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.848 0.356 . . . . 0.0 111.014 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -80.36 -2.4 45.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.77 75.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 tt -97.33 134.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 111.059 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -91.03 118.45 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.29 176.42 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.67 107.52 18.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -76.68 -28.58 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.31 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -87.25 -33.67 19.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.742 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.58 88.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -63.08 98.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.3 mt -88.65 -25.48 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.19 -9.3 22.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.399 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 62.84 36.59 12.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -77.33 -16.66 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.71 15.47 54.63 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.744 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.23 136.42 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.99 97.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 -171.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 p -60.76 -27.87 68.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.651 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.3 m -59.97 -52.23 66.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -56.75 -41.94 78.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.38 -30.58 62.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.97 -32.48 32.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.397 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.63 -32.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -48.98 26.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -61.05 -41.56 96.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.7 -32.84 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.86 -41.01 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mt -80.74 -16.53 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.478 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.17 20.72 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.34 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 55.4 30.86 15.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.55 -32.77 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 pt -141.08 133.82 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.56 13.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -110.04 107.02 16.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -133.16 152.08 78.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.1 158.33 96.46 Favored 'Cis proline' 0 C--N 1.348 0.508 0 C-N-CA 123.32 -1.533 . . . . 0.0 112.428 -0.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 89.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.11 159.47 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.54 115.42 19.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.12 -27.25 16.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -64.06 82.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.293 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -85.8 -6.7 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.387 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.58 54.64 2.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -113.01 -16.82 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.325 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.88 61.44 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.78 143.06 48.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.4 100.05 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -112.54 -173.15 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -65.67 -30.13 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -59.76 -31.31 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.2 -31.63 70.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -57.22 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.43 -26.55 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.13 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.46 -38.81 90.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -58.26 -46.57 85.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -59.96 -34.1 72.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -74.25 -53.21 10.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.14 -23.9 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.17 9.35 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 57.59 44.19 21.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -80.73 -30.83 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.67 40.23 2.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 tt -110.17 146.01 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t -98.65 116.41 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 pt -138.02 -178.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -90.18 99.44 12.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.737 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.9 p -69.4 -30.99 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.633 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -80.11 -33.29 38.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.17 74.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -60.05 98.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -88.46 -18.6 27.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -109.74 -6.7 15.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.526 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 61.24 37.99 16.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -77.29 -16.72 58.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.184 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.24 -13.7 48.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 147.81 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.14 97.22 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -111.25 -177.82 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -55.85 -29.15 59.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -59.25 -47.87 83.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.797 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.97 -45.2 91.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.06 -34.88 70.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.729 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.06 -32.22 53.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.261 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.15 -32.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -39.03 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -62.3 -49.43 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -62.4 -32.65 73.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.417 ' CE1' HD23 ' A' ' 65' ' ' LEU . 20.1 t80 -64.38 -44.95 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.3 mt -73.6 -28.01 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.02 -4.51 44.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.415 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? 68.61 40.65 1.82 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -108.24 -33.92 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.4 pt -115.55 132.37 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -24.79 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.1 m -78.49 122.92 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 0.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 66' ' ' PRO . 5.9 tp -146.67 141.08 15.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.0 Cg_endo -77.62 167.63 78.49 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.41 -1.496 . . . . 0.0 112.525 0.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.07 98.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.81 150.97 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -88.1 100.65 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.03 -28.21 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.387 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -64.34 84.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 m -79.81 -34.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.95 -8.93 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.329 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 59.52 56.22 3.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -112.88 -16.87 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.38 20.78 24.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.554 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -167.23 135.84 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.96 99.37 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -112.92 -177.83 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -60.91 -30.61 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -61.91 -29.72 70.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -63.48 -30.46 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.77 -54.35 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.11 -41.25 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.38 -52.99 63.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.43 -34.57 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -48.6 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -57.05 -33.26 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CG ' HD12 ' A' ' 33' ' ' ILE . 55.5 t80 -70.7 -60.53 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -58.14 -23.56 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 4.39 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.553 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 61.39 38.29 16.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.318 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -74.52 -31.24 62.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.09 29.74 5.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 tt -106.21 158.1 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 127.66 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.427 HD12 ' CG ' ' A' ' 25' ' ' TYR . 25.7 pt -131.46 -179.37 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.06 105.7 17.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -73.92 -30.89 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.512 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -84.19 -37.57 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.783 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.74 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.37 98.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -88.72 -22.08 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -101.78 -9.98 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.71 38.95 18.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.862 0.363 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.29 -16.57 58.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.8 10.18 50.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.048 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.25 139.92 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.13 97.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.95 -178.21 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -29.08 62.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -48.49 81.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.01 -43.66 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -58.88 -33.91 71.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.16 -29.03 57.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.218 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 67' ' ' TYR . 23.2 mt -80.19 -33.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.717 0.294 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -43.93 73.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -64.28 -46.36 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -62.46 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 65' ' ' LEU . 82.8 t80 -68.35 -37.91 80.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.34 -18.9 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 19.27 9.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.13 31.89 17.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -94.01 -34.49 13.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.55 121.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.72 13.51 21.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.5 m -111.55 106.44 15.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 57' ' ' TYR . 3.3 mp -128.81 155.12 79.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.78 166.48 82.88 Favored 'Cis proline' 0 C--N 1.346 0.445 0 C-N-CA 123.261 -1.558 . . . . 0.0 112.442 -0.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CD2' HD13 ' A' ' 53' ' ' ILE . 37.6 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -68.15 89.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.788 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.73 115.07 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -61.05 102.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.25 25.71 4.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.468 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -128.64 86.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 m -82.05 -28.8 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -87.15 5.86 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 43.84 56.64 4.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 111.417 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -105.79 -16.73 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.69 25.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.677 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -167.25 148.21 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.11 99.55 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -29.66 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 t -59.31 -30.52 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.43 -35.49 79.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -53.08 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -63.91 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.7 tp -67.51 -31.76 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.92 -45.08 90.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -59.95 -39.05 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.18 -37.05 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.57 -20.06 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.306 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -94.03 21.51 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 55.21 30.48 14.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.1 p -62.78 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 29.18 19.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 tt -96.49 120.39 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -72.62 115.4 11.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 pt -126.27 178.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.15 102.29 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -67.97 -31.26 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -43.41 98.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.399 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -81.82 -37.98 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.43 -52.75 64.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -59.26 98.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.5 mt -88.64 -24.21 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.306 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -100.56 -11.35 20.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.476 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 59.37 39.47 22.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -77.26 -16.61 58.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 4.65 37.34 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.987 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 143.84 4.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.98 97.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -110.99 -178.09 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 p -57.02 -28.84 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -50.38 74.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.2 -43.82 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.97 -33.94 69.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.26 -34.28 51.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.213 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -72.16 -33.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -49.61 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -36.07 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.3 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.9 mt -84.24 -19.63 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.373 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.29 22.57 6.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt 54.36 30.18 12.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.53 -31.14 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 pt -148.74 131.27 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -120.78 13.45 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.8 m -105.51 106.35 16.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mp -135.8 154.14 77.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.95 158.48 97.87 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.394 0.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.708 0.29 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 85.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.43 127.04 50.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -60.01 101.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.94 13.4 7.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.76 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -105.18 72.54 1.0 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.953 0.406 . . . . 0.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.36 -30.43 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.243 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.47 -8.96 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t70 58.11 59.46 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -122.23 -0.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.15 25.98 65.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -167.2 130.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.78 99.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -112.72 -176.3 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m -59.09 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m -58.9 -37.24 76.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -62.95 -32.68 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.97 -54.05 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.55 -41.82 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.02 -36.35 81.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.83 -41.18 97.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -59.98 -38.0 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.26 -51.31 46.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.0 -23.14 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.79 10.84 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.67 30.63 20.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.3 31.84 5.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.91 147.07 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.55 131.87 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.7 pt -142.11 -178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.31 103.98 16.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.652 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -74.4 -30.58 62.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -43.28 99.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.661 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -87.93 -29.29 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.278 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -58.34 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -86.9 -28.78 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -96.82 -5.85 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.56 37.52 19.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -77.4 -16.47 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.38 -13.72 43.49 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.18 150.21 29.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.339 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.92 97.27 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.987 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -109.91 -177.33 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -54.59 -29.22 50.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -45.07 93.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.73 -43.02 98.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -58.01 -36.43 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.657 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.14 -29.18 62.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.336 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.7 mt -78.59 -35.11 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -37.06 86.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -77.69 -49.1 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -61.47 -34.71 75.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CE1' HD21 ' A' ' 65' ' ' LEU . 36.9 t80 -64.85 -50.3 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.2 mt -68.66 -20.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.346 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.87 11.79 19.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.435 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt 56.49 29.96 16.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.755 0.312 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -92.37 -31.63 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.6 pt -130.29 118.35 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -107.82 13.38 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.14 106.39 16.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 110.731 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tp -128.56 143.02 46.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 74.1 Cg_endo -77.07 165.21 85.42 Favored 'Cis proline' 0 C--N 1.346 0.414 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.287 0.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -179.819 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 85.75 7.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.44 114.82 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.81 103.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.79 -25.74 5.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -67.37 74.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -73.28 -30.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -85.38 -8.86 58.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.507 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.58 52.59 3.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.379 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -108.23 -16.83 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.91 55.29 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -136.65 146.33 45.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.19 99.45 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -111.98 172.78 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m -58.99 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -58.79 -31.2 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.43 -32.66 74.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -52.49 29.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.75 -32.12 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.53 71.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tp -72.56 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -57.74 -34.01 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -70.8 -36.02 72.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -69.95 -44.83 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.2 -22.43 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.65 14.9 13.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 56.12 36.8 28.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -67.17 -30.63 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.96 34.49 5.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.577 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -114.31 117.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 m -72.03 121.31 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.9 pt -127.43 179.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -87.77 106.92 18.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.626 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -78.81 -30.48 45.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.29 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -85.83 -31.62 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.851 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.79 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.6 98.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.824 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.44 -26.68 28.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -103.23 -2.11 27.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.612 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.58 35.72 19.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -79.22 -16.64 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.68 16.3 39.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.726 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 162.5 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.99 97.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.53 -169.08 1.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -60.7 -27.85 68.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.572 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.1 m -60.58 -49.0 79.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -58.31 -41.6 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.57 -32.86 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 -35.81 20.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -66.88 -39.7 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -37.85 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -40.69 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -67.85 -35.16 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -66.96 -37.28 83.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.0 mt -83.45 -20.49 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.397 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.06 19.75 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.326 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.9 33.22 19.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -96.19 -32.16 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.0 pt -141.08 131.88 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.46 -19.41 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -78.43 119.54 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.02 151.07 69.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.696 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.91 170.08 72.69 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.301 -1.541 . . . . 0.0 112.417 0.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 t -137.83 161.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 125.92 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 66' ' ' PRO . 26.2 m-85 -60.51 92.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.12 -28.45 3.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.411 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -73.48 92.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -86.29 -32.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -77.67 -9.06 58.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.421 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 58.5 57.73 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.03 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -112.36 -16.79 12.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.26 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.08 20.43 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.556 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -167.3 147.28 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.5 99.84 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -109.05 171.26 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -60.61 -31.38 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 m -59.59 -30.94 69.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.24 -31.75 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -58.06 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.02 -35.07 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -46.6 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.07 -37.99 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.72 -32.42 70.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -41.97 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CG ' HD13 ' A' ' 33' ' ' ILE . 73.9 t80 -66.93 -45.5 77.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.8 t -59.35 -31.85 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -76.38 -6.36 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 mtt85 62.56 43.58 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.946 0.403 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -24.15 30.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.6 40.24 2.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 tt -102.52 130.27 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 t -81.47 120.5 25.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.419 HD13 ' CG ' ' A' ' 25' ' ' TYR . 25.3 pt -141.6 179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.4 86.05 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -56.24 -30.93 63.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -80.4 -31.17 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.92 89.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -59.19 98.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.64 -26.72 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.51 -10.17 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.423 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 39.34 6.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -77.35 -16.62 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.57 -13.77 42.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.99 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -149.04 147.58 28.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.96 97.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -111.43 -178.12 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.987 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -29.25 59.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -58.88 -50.3 74.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -57.97 -40.46 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.0 -52.15 66.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.64 -40.12 94.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.389 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.59 -42.36 94.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 0.0 110.932 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.58 -42.6 98.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -68.47 -44.05 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -62.92 -36.01 81.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.406 ' CE1' HD21 ' A' ' 65' ' ' LEU . 72.6 t80 -59.57 -42.9 93.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -79.45 -16.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.406 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.63 19.62 8.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.219 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.6 mttp 55.89 39.67 30.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.28 -33.65 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.43 127.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.51 -26.09 9.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -78.41 115.24 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD21 ' CE1' ' A' ' 57' ' ' TYR . 2.6 mp -137.48 151.96 72.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HB3' ' CE2' ' A' ' 5' ' ' TYR . 77.4 Cg_endo -77.67 167.42 78.95 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.341 -1.524 . . . . 0.0 112.433 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -82.27 153.23 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.811 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.05 89.55 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t30 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.873 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.881 0.372 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -91.55 170.41 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 84.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.49 117.13 33.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -61.53 107.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.71 4.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -131.6 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.1 m -84.63 -29.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.75 -8.88 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 60.1 57.12 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -113.17 -16.72 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.92 19.41 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.624 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.91 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.55 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.09 171.26 7.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -58.71 -30.49 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -58.97 -31.4 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -65.56 -35.61 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.79 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.16 -34.11 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.79 85.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.38 -43.18 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -60.23 -43.8 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -60.39 -33.26 72.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CG ' HD12 ' A' ' 33' ' ' ILE . 85.5 t80 -75.3 -43.03 53.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.23 -30.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 tp -84.9 -11.54 55.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 61.7 55.69 2.64 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 32.49 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.5 40.16 96.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -109.62 129.48 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.44 124.79 40.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 HD12 ' CG ' ' A' ' 25' ' ' TYR . 27.4 pt -146.0 -177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.262 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -92.25 105.78 17.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.56 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -74.99 -30.02 61.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.11 -43.32 95.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.451 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -81.33 -36.26 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.25 80.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -59.46 97.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.69 -23.41 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -102.55 -10.14 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.472 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 61.31 38.58 16.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 p30 -77.28 -16.76 58.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.15 -13.66 44.47 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -153.28 151.14 29.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.99 97.34 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.967 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -108.24 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.978 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -56.16 -29.79 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -59.76 -47.77 84.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.28 -43.2 87.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.71 -34.08 69.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.45 -33.72 42.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.146 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.6 mt -70.64 -36.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -44.21 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -38.56 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -63.08 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.792 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -64.28 -39.58 94.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mt -76.78 -24.2 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 6.86 29.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.413 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.93 32.69 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -95.36 -32.04 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 pt -127.68 127.02 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.44 -29.35 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -82.01 120.33 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.018 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mp -137.8 154.58 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.766 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.17 169.42 74.6 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.255 -1.56 . . . . 0.0 112.545 0.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -70.83 133.8 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.996 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.96 76.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.944 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.83 0.348 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 t -77.36 161.83 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 102.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.14 118.69 29.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -57.41 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.35 40.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.433 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -132.1 77.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.9 m -73.53 -37.53 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.343 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -77.69 -8.98 58.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.398 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 58.99 56.0 4.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.887 0.375 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -110.03 -16.75 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.22 23.13 20.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.567 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -167.25 135.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.03 99.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -112.77 171.35 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.17 -30.83 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -59.31 -30.64 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.17 -36.24 81.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.776 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.6 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -69.38 -31.05 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -43.26 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.11 -34.24 76.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -62.21 -48.58 79.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -59.02 -36.35 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 33' ' ' ILE . 55.6 t80 -64.47 -48.36 75.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.55 -21.65 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.56 14.15 15.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.387 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 56.18 39.22 30.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.701 0.286 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -70.58 -34.99 72.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.31 39.39 2.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 tt -117.71 126.73 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 m -72.73 143.49 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 HD12 ' CD2' ' A' ' 25' ' ' TYR . 24.8 pt -150.28 -177.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.21 106.24 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -73.82 -30.91 62.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -43.26 98.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -87.18 -34.82 18.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.37 82.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -66.31 97.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.7 mt -88.68 -24.19 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -101.47 -8.77 21.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.42 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 60.92 39.41 16.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.807 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -77.42 -16.52 58.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.78 43.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -154.58 152.61 30.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.04 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -111.43 -177.46 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.009 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -28.9 49.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -48.36 81.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -59.59 -37.88 79.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.687 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.29 -36.14 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.5 14.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.15 -43.1 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.2 tp -61.79 -47.87 83.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -63.81 -41.99 97.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.89 -40.46 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.56 -43.26 90.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 mt -75.52 -17.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -92.52 16.87 11.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.97 37.17 28.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.74 -40.1 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 pt -131.98 131.42 61.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.07 -22.69 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -78.45 123.76 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mp -136.99 155.13 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.64 168.82 76.1 Favored 'Cis proline' 0 C--N 1.346 0.437 0 C-N-CA 123.344 -1.523 . . . . 0.0 112.404 0.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -77.09 108.81 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -114.78 100.27 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.0 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.95 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.922 0.391 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -105.87 155.66 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -62.3 87.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 118.72 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -56.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.23 -25.38 4.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.597 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.0 91.58 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 m -86.25 -30.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -86.99 -8.98 56.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 62.08 54.5 2.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -103.6 -16.74 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.88 17.43 23.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 161.45 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.52 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -112.0 -170.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -73.38 -30.48 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 m -58.06 -30.38 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.89 -31.24 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -51.04 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.58 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.66 79.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.49 -32.01 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -65.61 -35.74 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -65.93 -48.75 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -57.94 -43.02 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.68 -19.61 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -95.87 25.02 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.13 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.33 30.01 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -67.81 -33.27 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.43 39.96 9.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -100.99 134.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 t -74.09 123.96 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 pt -146.8 175.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 101.2 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.528 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.1 p -67.98 -30.72 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -43.24 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.352 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -79.92 -38.04 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.816 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.08 85.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -64.67 103.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.56 -32.97 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -94.22 -11.32 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.476 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 59.54 40.85 19.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -77.33 -12.37 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.53 4.29 37.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.052 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -167.24 148.05 5.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.04 97.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -111.34 -178.67 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -29.66 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -58.38 -50.56 73.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -58.95 -42.21 89.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.58 -43.29 97.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.36 -28.88 74.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.234 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.06 -36.18 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -37.59 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -65.22 -48.62 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.26 -38.47 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.417 ' CE1' HD21 ' A' ' 65' ' ' LEU . 48.4 t80 -62.6 -44.31 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.2 mt -72.88 -21.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mp -93.06 16.74 12.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.78 20.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.59 -45.25 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.9 pt -113.48 135.42 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.92 -29.03 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -79.14 122.25 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.072 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 57' ' ' TYR . 1.2 mp -140.53 148.99 55.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.31 176.61 43.08 Favored 'Cis proline' 0 C--N 1.345 0.391 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.392 0.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.68 140.05 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -108.66 86.76 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.912 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.86 0.362 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -62.02 169.46 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.0 88.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -110.19 124.16 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.73 105.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.85 32.18 2.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -133.16 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -86.23 -33.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -77.65 -8.95 58.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.74 58.57 2.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -112.65 -16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.65 22.24 16.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -167.26 156.97 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.8 99.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -110.62 172.49 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -62.67 -32.33 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.3 m -59.96 -29.63 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.21 -31.1 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.42 21.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.5 -40.91 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.73 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.31 -37.03 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -59.98 -45.82 91.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -60.35 -39.04 85.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CG ' HD11 ' A' ' 33' ' ' ILE . 20.1 t80 -60.26 -50.61 72.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.8 -18.96 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.363 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -84.59 6.2 24.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.491 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.34 34.62 10.41 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -31.33 63.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.66 31.0 7.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 tt -90.8 145.23 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -91.46 115.75 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' CG ' ' A' ' 25' ' ' TYR . 28.2 pt -132.96 -177.67 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -95.8 104.56 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -73.61 -31.27 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.12 -34.35 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.13 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -64.42 98.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.6 mt -87.27 -27.6 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -97.95 -11.37 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.86 38.79 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -77.3 -16.6 58.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.84 9.95 41.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.915 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.17 143.18 4.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.1 97.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -110.27 179.1 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -58.94 -29.65 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.761 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.5 m -59.88 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.17 -41.45 88.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.88 -32.38 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.69 -34.0 40.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.1 mt -68.54 -30.26 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -50.04 26.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -60.73 -44.2 96.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -63.92 -31.48 72.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -69.55 -32.32 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 mt -84.33 -21.71 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.04 22.24 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 53.51 29.9 9.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -89.35 -31.16 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 pt -139.01 127.41 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -111.33 13.42 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -109.51 109.43 20.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 66' ' ' PRO . 5.7 tp -133.23 140.6 37.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 71.6 Cg_endo -78.05 171.33 67.2 Favored 'Cis proline' 0 C--N 1.347 0.488 0 C-N-CA 123.338 -1.526 . . . . 0.0 112.409 0.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.95 130.03 40.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 69.1 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.922 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.865 0.364 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -97.15 158.86 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 94.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -115.31 154.26 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.33 -27.29 8.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.55 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.94 83.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -81.72 -33.05 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.65 -8.97 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 61.31 51.17 4.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -112.66 -16.86 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.28 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.92 25.24 17.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 130.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.739 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.22 99.37 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -112.79 -177.04 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -30.34 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -64.17 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -30.62 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.65 -52.42 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.39 -40.58 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.8 tp -70.53 -31.11 68.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -44.35 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -60.03 -46.9 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.45 -50.51 73.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.0 t -65.4 -25.41 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.238 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.59 9.09 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 59.23 48.31 10.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -35.05 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.22 33.01 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 31' ' ' ILE . 12.0 tt -112.02 130.33 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -77.48 133.02 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.5 pt -148.5 176.58 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.79 103.83 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p -75.16 -30.73 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -43.24 96.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.565 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.96 -38.1 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.87 88.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.84 97.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.741 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.1 mt -88.06 -22.75 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.298 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -104.23 -7.38 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.452 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.32 39.71 15.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.45 -16.53 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 10.99 57.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.937 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -167.2 144.13 4.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -83.1 97.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.41 -178.22 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -58.83 -29.26 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -58.56 -50.32 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -59.36 -40.85 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.53 -35.13 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.66 -31.49 58.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.333 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.9 mt -75.11 -31.24 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -49.19 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -48.61 80.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.82 -48.05 83.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.72 -19.96 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.384 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.38 15.04 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.384 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 55.43 29.05 12.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -90.78 -39.98 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 pt -122.93 126.37 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.75 13.42 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 m -104.76 106.39 16.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.812 0.339 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.4 tp -134.11 138.99 31.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.93 163.49 90.04 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.518 0.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' A' ' 69' ' ' ASN . 49.9 t80 -70.79 100.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -99.29 84.56 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 9.4 t30 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.791 0.329 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t -108.36 170.87 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 82.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.44 124.56 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 66' ' ' PRO . 80.5 m-85 -59.13 101.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.7 -27.47 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.53 83.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.98 -28.43 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.311 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -89.18 8.86 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.394 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.5 53.04 5.9 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.83 0.348 . . . . 0.0 111.588 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -105.49 -16.81 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.232 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.14 24.69 21.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -167.24 138.71 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.24 99.48 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -110.72 170.42 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 p -61.15 -31.48 71.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -59.61 -30.6 68.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.74 -41.15 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.09 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.75 -40.48 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.36 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.21 -36.17 83.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -41.7 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -66.03 -31.98 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CG ' HD12 ' A' ' 33' ' ' ILE . 61.8 t80 -64.93 -44.93 87.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.98 -29.61 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.41 -9.95 59.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.361 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.38 55.6 1.38 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 p -101.27 18.52 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.39 29.58 75.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.59 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -88.7 125.58 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 117.88 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.419 HD12 ' CG ' ' A' ' 25' ' ' TYR . 32.5 pt -139.89 -177.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -92.08 104.44 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -75.54 -31.02 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -81.1 -35.11 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.63 78.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.53 100.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.82 -28.81 24.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -98.21 -11.27 22.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 61.01 40.03 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -77.43 -16.56 58.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 6.55 35.65 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.095 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -167.33 146.01 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.04 96.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -111.48 -178.85 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.3 t -60.53 -29.34 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -51.36 70.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.78 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.1 -41.06 82.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.19 -34.43 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.17 -35.39 49.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.366 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -70.89 -37.35 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -44.6 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.12 -35.56 80.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -43.61 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.33 -37.38 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mt -76.84 -18.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.348 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.59 19.85 9.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.242 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 tttt 55.51 30.89 15.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.74 -41.33 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.11 130.73 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 -27.79 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.1 m -78.46 113.98 16.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -136.99 152.65 74.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 5' ' ' TYR . 73.5 Cg_endo -77.31 171.21 68.8 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.366 -1.514 . . . . 0.0 112.485 0.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -79.53 127.45 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.93 69.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.93 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p -142.79 155.9 44.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 82.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.53 127.18 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -58.8 107.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.39 -27.42 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.25 82.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -80.92 -29.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -82.52 -8.96 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.76 55.28 3.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -110.66 -16.75 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.57 16.55 24.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.654 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 160.82 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 t -96.53 101.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -109.34 170.74 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -59.31 -29.88 67.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.3 m -57.94 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.95 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.66 79.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.4 -33.93 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -39.98 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 tp -71.24 -33.73 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -47.29 76.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -62.2 -30.51 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CG ' HD13 ' A' ' 33' ' ' ILE . 43.8 t80 -68.46 -53.74 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -56.95 -30.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.53 -9.44 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.297 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 63.75 54.84 1.75 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.941 0.4 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.1 p -97.49 18.92 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.33 37.9 94.42 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -100.53 145.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -103.53 133.39 48.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 HD13 ' CG ' ' A' ' 25' ' ' TYR . 37.1 pt -152.73 -177.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -90.18 104.54 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -75.82 -28.67 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -43.37 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.576 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -88.45 -30.33 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.88 73.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -60.71 98.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -87.19 -29.39 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -95.56 -11.31 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.432 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 60.78 37.49 18.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.42 -12.58 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.251 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.6 -13.66 42.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.926 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -154.13 152.71 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.35 97.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -111.41 -177.0 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -55.01 -29.23 56.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -59.64 -48.19 82.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -58.24 -45.8 87.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.25 70.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.36 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.3 mt -77.79 -33.53 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.975 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -36.46 57.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.781 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -53.77 42.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -63.94 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -60.14 -49.8 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 mt -71.67 -18.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 16.31 11.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 30.09 16.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.29 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 pt -117.98 130.3 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.63 13.4 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 m -108.51 106.37 16.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.821 0.343 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mp -134.11 157.49 77.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.11 163.71 90.02 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.239 -1.567 . . . . 0.0 112.435 0.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 64.9 t80 -70.88 142.11 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 69.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -89.13 164.09 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.97 83.21 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 145.29 35.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.36 100.3 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.14 -28.2 5.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.17 81.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -82.86 -30.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.4 -8.29 59.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 63.13 55.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.951 0.405 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -114.24 -16.74 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.02 20.12 24.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.574 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -167.22 143.87 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.1 99.43 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -112.81 -177.49 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -59.61 -31.12 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -59.17 -31.32 68.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -68.42 -31.33 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.18 68.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.96 -33.09 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -42.32 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.8 tp -67.45 -31.12 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -38.61 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -63.37 -34.88 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.44 -47.9 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.1 t -60.83 -21.32 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -89.15 9.93 23.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.399 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 57.66 34.82 24.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.988 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -71.38 -31.15 66.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.11 28.5 6.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 tt -91.62 150.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -99.65 123.5 43.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 pt -138.8 -177.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.82 105.27 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -72.39 -29.92 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -43.26 96.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.616 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -80.2 -37.42 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.62 85.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -59.22 98.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.65 -24.02 24.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -102.28 -6.93 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 60.72 38.19 18.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -77.43 -16.41 58.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.79 16.18 52.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.831 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.68 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.703 0.287 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.63 97.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.65 -177.39 3.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -58.15 -29.14 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -58.21 -43.2 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.84 -38.31 78.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.399 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.82 -30.61 70.3 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.969 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 67' ' ' TYR . 24.3 mt -79.24 -28.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.811 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -52.26 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -61.96 -42.74 99.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -58.88 -32.92 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -72.42 -34.55 67.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -84.02 -23.05 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.84 19.11 9.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 55.08 30.87 15.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.68 -32.74 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.83 126.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.68 13.41 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.2 m -118.94 106.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.05 152.52 70.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.47 162.35 92.03 Favored 'Cis proline' 0 C--N 1.347 0.464 0 C-N-CA 123.315 -1.535 . . . . 0.0 112.417 0.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 53' ' ' ILE . 76.9 t80 -70.87 109.14 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.63 90.26 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p -141.09 167.74 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 87.14 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.78 128.18 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 98.3 m-85 -59.68 115.99 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.49 -28.1 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.55 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.28 86.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -85.49 -31.93 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.7 -8.96 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.19 56.87 2.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -110.42 -16.74 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.01 17.74 24.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.688 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.27 157.48 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.39 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -109.71 169.33 8.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 -30.86 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 m -58.7 -28.58 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.92 -40.23 96.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.01 45.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.18 -34.78 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.72 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 tp -69.91 -31.24 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -65.34 -39.35 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -40.82 91.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.5 -56.14 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.45 -17.1 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.18 21.81 4.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 44.56 38.17 2.53 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.456 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.07 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.15 31.59 5.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -99.93 145.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.66 120.41 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 pt -129.74 -177.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -91.48 107.51 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.01 -29.62 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.34 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -84.34 -35.67 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.91 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -62.68 98.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.5 -25.24 22.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -100.73 -8.13 23.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.393 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.73 39.26 14.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -77.34 -16.61 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.39 -13.65 43.46 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.061 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.94 149.28 28.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.04 100.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -111.32 -178.44 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.6 m -56.2 -30.81 62.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -60.47 -47.8 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.68 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.59 -41.12 80.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.32 -39.85 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.682 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.19 -35.93 56.65 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.42 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 mt -66.24 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -67.77 -41.18 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -61.59 -43.81 98.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.95 -36.59 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 mt -73.26 -28.37 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.266 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.25 23.79 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.211 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 52.65 28.5 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -83.3 -30.7 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 pt -135.2 133.56 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.14 13.38 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -122.77 115.67 22.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.71 0.29 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -132.31 151.37 78.2 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 71.7 Cg_endo -76.7 166.61 82.23 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 123.37 -1.512 . . . . 0.0 112.402 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.85 140.57 51.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.3 82.27 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.925 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.702 0.286 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -159.09 156.87 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.44 91.73 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.05 164.96 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -85.6 106.3 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.27 7.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -68.81 80.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.99 -35.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -78.12 -8.92 58.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 t0 60.94 54.29 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -110.15 -16.84 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.75 23.01 12.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -167.2 161.28 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -109.2 99.44 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -111.83 172.7 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 p -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 t -59.79 -29.85 68.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.37 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.79 -38.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.33 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.31 -41.47 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -67.6 -31.4 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CG ' HD11 ' A' ' 33' ' ' ILE . 60.1 t80 -71.61 -39.06 70.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -66.44 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.57 -3.24 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.339 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.19 55.61 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -93.28 15.7 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.43 40.21 96.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.572 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 tt -106.93 127.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.124 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -86.03 119.08 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CG ' ' A' ' 25' ' ' TYR . 25.1 pt -138.72 171.69 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.4 97.92 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.3 p -64.14 -29.92 71.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -43.28 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.461 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.41 -34.57 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.733 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.27 85.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.18 99.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.52 -27.57 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -97.4 -11.27 24.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.12 37.97 20.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.38 -16.5 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.52 -13.68 42.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.36 144.41 28.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -82.94 97.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.36 -177.54 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -55.87 -28.61 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -52.23 66.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.4 -40.38 74.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.02 -47.39 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.23 -38.12 95.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.328 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.3 mt -60.09 -43.85 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -47.71 81.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -63.71 -48.59 76.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.65 -33.07 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.03 -41.63 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mt -86.35 -10.52 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.579 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.86 21.22 7.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.229 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.4 28.28 7.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -93.33 -36.66 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.86 116.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -109.14 13.51 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -110.67 106.43 15.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.72 151.43 54.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.31 171.62 67.21 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.321 -1.533 . . . . 0.0 112.366 -0.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 69' ' ' ASN . 16.5 t80 -70.84 120.05 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -75.51 83.26 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 9.5 t30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -63.12 161.52 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -75.34 82.94 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 134.5 40.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -72.36 103.88 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.66 24.81 4.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.596 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.4 84.96 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.774 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.1 m -78.86 -29.14 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.95 -9.0 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 t70 56.6 56.4 5.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -112.19 -16.76 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.9 22.18 18.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.636 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.31 136.26 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.772 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.52 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.038 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -111.47 171.23 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -61.14 -30.38 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.8 m -58.83 -31.26 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.05 -31.37 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.89 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.75 -35.8 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.18 89.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -66.93 -33.45 75.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -46.37 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -59.86 -31.58 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.0 -54.9 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.78 -25.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.17 0.43 36.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.74 39.74 6.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 -31.01 57.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.51 31.42 4.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -106.72 116.6 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.088 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 130.96 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 pt -134.39 -178.95 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.79 106.81 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.519 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -72.92 -29.23 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -43.41 98.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -88.29 -32.57 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.73 -46.94 83.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -57.94 97.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -88.7 -25.65 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.44 -11.13 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.91 37.2 12.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -77.44 -16.58 58.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -13.68 58.36 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.885 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -142.38 141.69 32.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.02 97.17 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -110.54 -179.46 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -58.63 -31.01 67.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 m -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -60.23 -38.67 84.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.96 -35.68 79.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.49 -28.3 61.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.3 mt -76.29 -29.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.61 -59.3 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -59.58 -43.36 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.05 -29.98 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.83 -24.38 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.25 23.54 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 54.83 39.0 31.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.93 -36.99 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.8 pt -132.99 138.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.22 -21.83 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -78.44 124.14 27.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 tp -147.93 140.1 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.16 168.96 75.49 Favored 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.49 0.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -70.87 153.82 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -140.59 87.86 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.923 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -110.03 162.49 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.2 95.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.54 160.21 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -86.11 112.52 21.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.95 -28.85 14.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.432 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -71.05 88.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -82.38 -30.02 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.351 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -83.66 -8.91 59.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.23 52.52 4.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.93 0.395 . . . . 0.0 111.022 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -105.41 -16.82 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.65 24.54 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.569 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.34 100.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -111.6 170.69 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -30.6 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.3 m -58.44 -30.8 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.01 -32.95 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.45 -54.01 12.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.63 -39.01 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.36 93.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.6 tp -64.48 -32.57 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.9 -44.97 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -39.86 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -64.76 -45.4 86.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.7 t -73.13 -20.77 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.4 tp -80.81 0.45 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.509 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 66.4 35.0 5.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.893 0.378 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -80.43 -38.58 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.37 40.27 2.1 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.35 153.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -99.95 120.15 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.4 pt -144.37 168.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.24 97.19 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.4 p -66.13 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -43.41 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.466 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -79.43 -36.18 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -59.33 98.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.6 mt -88.49 -23.74 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -102.72 -5.08 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.497 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 60.3 39.62 18.69 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -77.32 -16.64 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.5 8.33 58.57 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.017 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.29 146.85 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.98 97.14 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -111.43 -179.58 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -59.14 -30.95 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.36 -48.17 82.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -58.74 -41.81 87.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.6 -32.84 70.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.41 -35.28 33.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.306 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.59 -32.82 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.861 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -44.21 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.806 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -60.77 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.96 -48.37 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 HG22 HD13 ' A' ' 58' ' ' ILE . 48.5 mt -68.13 -20.53 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.0 8.96 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt 60.31 30.72 20.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -93.74 -34.78 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 pt -130.01 128.44 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.17 13.49 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -112.73 106.51 14.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -125.3 154.75 72.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.46 161.45 93.78 Favored 'Cis proline' 0 C--N 1.345 0.373 0 C-N-CA 123.307 -1.539 . . . . 0.0 112.384 0.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 86.9 t80 -70.83 142.41 51.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.79 83.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.3 p30 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -90.92 163.06 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 98.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.15 127.25 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -65.28 113.56 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.61 29.19 6.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -128.62 84.65 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 m -80.65 -36.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.311 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.85 -8.98 58.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 t0 60.03 58.17 2.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -113.16 -16.81 12.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.279 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.25 23.83 18.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.22 144.3 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.3 100.21 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -111.43 172.77 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.2 t -59.34 -31.15 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.9 -33.08 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -53.51 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.35 -35.31 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.95 96.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.3 tp -69.21 -31.03 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.79 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -45.21 82.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CG ' HD12 ' A' ' 33' ' ' ILE . 18.9 t80 -58.33 -49.68 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.53 -17.51 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.357 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.06 20.25 6.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.406 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 57.05 30.24 17.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -71.43 -31.23 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.77 28.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.417 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.48 148.81 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 116.68 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 HD12 ' CG ' ' A' ' 25' ' ' TYR . 24.5 pt -128.06 -178.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.79 104.29 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.616 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.7 p -69.8 -30.31 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.648 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.33 95.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.444 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.9 -38.55 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.22 -46.01 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.13 97.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.98 -24.21 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.276 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -103.29 -5.77 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.498 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.59 39.54 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -77.38 -16.58 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.35 -13.7 43.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.032 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -155.72 151.52 27.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.03 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -110.88 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -55.87 -30.18 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.56 -44.6 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -61.15 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.17 -33.27 62.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.652 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.72 -28.11 57.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.274 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 mt -78.45 -44.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -50.37 61.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -59.94 -47.05 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -63.34 -41.33 98.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.28 -42.73 87.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.33 -18.74 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.331 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.57 21.41 7.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.223 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 55.18 29.05 11.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.32 -31.91 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.98 130.39 25.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.76 -14.58 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -78.41 106.6 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 tp -129.19 139.56 36.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.661 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.17 173.12 59.71 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.474 -1.469 . . . . 0.0 112.481 0.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 69' ' ' ASN . 68.3 t80 -70.83 131.85 44.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 86.35 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 49.1 t30 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 t -74.99 156.71 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -70.22 90.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 125.66 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.16 118.16 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.52 28.14 8.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -125.91 79.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.23 -36.15 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -78.35 -9.03 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.407 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.43 58.87 2.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -112.24 -16.79 12.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.4 21.94 23.25 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.553 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.27 137.46 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.39 99.43 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.8 171.15 7.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.9 p -59.0 -30.27 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.6 m -59.47 -30.66 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.73 -37.15 76.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.42 69.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.97 -32.08 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.72 68.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.88 -44.04 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -37.78 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.21 -53.54 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.23 -17.59 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.486 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 tp -88.69 12.54 14.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.443 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 58.85 38.72 24.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.848 0.356 . . . . 0.0 111.014 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -80.36 -2.4 45.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.77 75.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 tt -97.33 134.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 111.059 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -91.03 118.45 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.29 176.42 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.67 107.52 18.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -76.68 -28.58 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.31 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -87.25 -33.67 19.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.742 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.58 88.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -63.08 98.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.3 mt -88.65 -25.48 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.19 -9.3 22.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.399 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 62.84 36.59 12.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -77.33 -16.66 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.71 15.47 54.63 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.744 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.23 136.42 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.99 97.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 -171.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 p -60.76 -27.87 68.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.651 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.3 m -59.97 -52.23 66.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -56.75 -41.94 78.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.6 tp -56.38 -30.58 62.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.97 -32.48 32.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.397 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.63 -32.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -48.98 26.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -61.05 -41.56 96.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.7 -32.84 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.86 -41.01 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mt -80.74 -16.53 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.478 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.17 20.72 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.34 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 55.4 30.86 15.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.55 -32.77 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 pt -141.08 133.82 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.56 13.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -110.04 107.02 16.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mp -133.16 152.08 78.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.1 158.33 96.46 Favored 'Cis proline' 0 C--N 1.348 0.508 0 C-N-CA 123.32 -1.533 . . . . 0.0 112.428 -0.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -70.9 146.43 49.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 94.03 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.823 0.344 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t -130.97 150.18 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 89.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.11 159.47 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.54 115.42 19.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.12 -27.25 16.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -64.06 82.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.293 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -85.8 -6.7 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.387 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.58 54.64 2.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -113.01 -16.82 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.325 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.88 61.44 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.78 143.06 48.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.4 100.05 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -112.54 -173.15 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -65.67 -30.13 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -59.76 -31.31 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -69.2 -31.63 70.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -57.22 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.43 -26.55 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.13 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.46 -38.81 90.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -58.26 -46.57 85.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -59.96 -34.1 72.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -74.25 -53.21 10.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.14 -23.9 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.17 9.35 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 57.59 44.19 21.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -80.73 -30.83 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.67 40.23 2.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 tt -110.17 146.01 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t -98.65 116.41 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 pt -138.02 -178.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -90.18 99.44 12.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.737 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.9 p -69.4 -30.99 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.633 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -80.11 -33.29 38.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.17 74.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -60.05 98.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.1 mt -88.46 -18.6 27.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.396 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -109.74 -6.7 15.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.526 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 61.24 37.99 16.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -77.29 -16.72 58.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.184 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.24 -13.7 48.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 147.81 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.14 97.22 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -111.25 -177.82 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -55.85 -29.15 59.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -59.25 -47.87 83.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.797 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.97 -45.2 91.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.06 -34.88 70.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.729 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.06 -32.22 53.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.261 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 mt -75.15 -32.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -39.03 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -62.3 -49.43 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -62.4 -32.65 73.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.417 ' CE1' HD23 ' A' ' 65' ' ' LEU . 20.1 t80 -64.38 -44.95 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.3 mt -73.6 -28.01 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.02 -4.51 44.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.415 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? 68.61 40.65 1.82 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -108.24 -33.92 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.4 pt -115.55 132.37 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -24.79 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.1 m -78.49 122.92 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 0.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 66' ' ' PRO . 5.9 tp -146.67 141.08 15.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.0 Cg_endo -77.62 167.63 78.49 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.41 -1.496 . . . . 0.0 112.525 0.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 69' ' ' ASN . 80.4 t80 -81.94 98.05 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.35 81.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 4.3 t-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.83 0.348 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -81.85 161.66 23.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.07 98.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.81 150.97 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -88.1 100.65 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.03 -28.21 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.387 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -64.34 84.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 m -79.81 -34.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.95 -8.93 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.329 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 59.52 56.22 3.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -112.88 -16.87 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.38 20.78 24.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.554 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -167.23 135.84 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.96 99.37 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -112.92 -177.83 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -60.91 -30.61 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -61.91 -29.72 70.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -63.48 -30.46 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.77 -54.35 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.11 -41.25 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.38 -52.99 63.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.43 -34.57 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -48.6 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -57.05 -33.26 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CG ' HD12 ' A' ' 33' ' ' ILE . 55.5 t80 -70.7 -60.53 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.2 t -58.14 -23.56 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 4.39 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.553 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 61.39 38.29 16.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.318 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -74.52 -31.24 62.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.09 29.74 5.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 tt -106.21 158.1 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 127.66 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.427 HD12 ' CG ' ' A' ' 25' ' ' TYR . 25.7 pt -131.46 -179.37 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.06 105.7 17.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -73.92 -30.89 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.512 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -84.19 -37.57 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.783 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.74 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.37 98.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -88.72 -22.08 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -101.78 -9.98 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.71 38.95 18.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.862 0.363 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.29 -16.57 58.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.8 10.18 50.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.048 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.25 139.92 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.13 97.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.95 -178.21 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -29.08 62.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -48.49 81.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.01 -43.66 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -58.88 -33.91 71.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.16 -29.03 57.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.218 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 67' ' ' TYR . 23.2 mt -80.19 -33.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.717 0.294 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -43.93 73.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -64.28 -46.36 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -62.46 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 65' ' ' LEU . 82.8 t80 -68.35 -37.91 80.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.7 mt -83.34 -18.9 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 19.27 9.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.13 31.89 17.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -94.01 -34.49 13.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.55 121.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.72 13.51 21.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.5 m -111.55 106.44 15.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 57' ' ' TYR . 3.3 mp -128.81 155.12 79.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.78 166.48 82.88 Favored 'Cis proline' 0 C--N 1.346 0.445 0 C-N-CA 123.261 -1.558 . . . . 0.0 112.442 -0.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CD2' HD13 ' A' ' 53' ' ' ILE . 37.6 t80 -70.9 138.51 50.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.25 88.83 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.875 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.741 0.305 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -61.74 165.92 4.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -68.15 89.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.788 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.73 115.07 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -61.05 102.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.25 25.71 4.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.468 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -128.64 86.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 m -82.05 -28.8 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -87.15 5.86 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 43.84 56.64 4.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 111.417 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -105.79 -16.73 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.69 25.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.677 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -167.25 148.21 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.11 99.55 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -29.66 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.4 t -59.31 -30.52 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.43 -35.49 79.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -53.08 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -63.91 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.7 tp -67.51 -31.76 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -63.92 -45.08 90.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -59.95 -39.05 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.18 -37.05 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -76.57 -20.06 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.306 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -94.03 21.51 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 55.21 30.48 14.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.1 p -62.78 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 29.18 19.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 tt -96.49 120.39 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -72.62 115.4 11.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 pt -126.27 178.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.15 102.29 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -67.97 -31.26 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -43.41 98.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.399 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -81.82 -37.98 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.43 -52.75 64.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -59.26 98.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.5 mt -88.64 -24.21 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.306 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -100.56 -11.35 20.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.476 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 59.37 39.47 22.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -77.26 -16.61 58.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 4.65 37.34 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.987 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 143.84 4.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.98 97.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -110.99 -178.09 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 p -57.02 -28.84 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -50.38 74.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.2 -43.82 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.97 -33.94 69.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.26 -34.28 51.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.213 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -72.16 -33.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -49.61 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -36.07 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.3 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.9 mt -84.24 -19.63 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.373 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.29 22.57 6.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.24 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt 54.36 30.18 12.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.53 -31.14 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.6 pt -148.74 131.27 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -120.78 13.45 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.8 m -105.51 106.35 16.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mp -135.8 154.14 77.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.95 158.48 97.87 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.394 0.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 69' ' ' ASN . 57.6 t80 -70.83 119.14 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.73 69.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.409 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 3.7 m-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.812 0.339 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.76 132.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 85.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.43 127.04 50.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -60.01 101.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.94 13.4 7.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.76 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -105.18 72.54 1.0 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.953 0.406 . . . . 0.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.36 -30.43 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.243 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.47 -8.96 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t70 58.11 59.46 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -122.23 -0.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.15 25.98 65.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -167.2 130.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.78 99.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -112.72 -176.3 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m -59.09 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m -58.9 -37.24 76.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -62.95 -32.68 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.97 -54.05 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.55 -41.82 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.02 -36.35 81.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.83 -41.18 97.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -59.98 -38.0 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.26 -51.31 46.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.0 -23.14 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.79 10.84 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.67 30.63 20.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.3 31.84 5.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.91 147.07 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.55 131.87 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.7 pt -142.11 -178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.31 103.98 16.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.652 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -74.4 -30.58 62.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -43.28 99.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.661 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -87.93 -29.29 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.278 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -58.34 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -86.9 -28.78 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -96.82 -5.85 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.56 37.52 19.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -77.4 -16.47 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.38 -13.72 43.49 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.18 150.21 29.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.339 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.92 97.27 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.987 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -109.91 -177.33 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -54.59 -29.22 50.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -45.07 93.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.73 -43.02 98.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.627 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tp -58.01 -36.43 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.657 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.14 -29.18 62.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.336 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.7 mt -78.59 -35.11 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -37.06 86.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -77.69 -49.1 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -61.47 -34.71 75.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CE1' HD21 ' A' ' 65' ' ' LEU . 36.9 t80 -64.85 -50.3 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.2 mt -68.66 -20.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.346 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.87 11.79 19.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.435 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt 56.49 29.96 16.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.755 0.312 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -92.37 -31.63 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.6 pt -130.29 118.35 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -107.82 13.38 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.14 106.39 16.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 110.731 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 57' ' ' TYR . 1.3 tp -128.56 143.02 46.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 74.1 Cg_endo -77.07 165.21 85.42 Favored 'Cis proline' 0 C--N 1.346 0.414 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.287 0.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -70.79 102.78 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -114.31 69.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.784 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -78.49 171.81 14.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 85.75 7.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.44 114.82 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.81 103.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.79 -25.74 5.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -67.37 74.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -73.28 -30.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -85.38 -8.86 58.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.507 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.58 52.59 3.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.379 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -108.23 -16.83 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.91 55.29 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -136.65 146.33 45.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.19 99.45 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -111.98 172.78 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m -58.99 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -58.79 -31.2 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -65.43 -32.66 74.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -52.49 29.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -59.75 -32.12 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.53 71.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tp -72.56 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -57.74 -34.01 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -70.8 -36.02 72.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -69.95 -44.83 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.2 -22.43 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.65 14.9 13.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 56.12 36.8 28.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -67.17 -30.63 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.96 34.49 5.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.577 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -114.31 117.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 m -72.03 121.31 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.9 pt -127.43 179.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -87.77 106.92 18.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.626 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -78.81 -30.48 45.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.29 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -85.83 -31.62 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.851 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.79 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.6 98.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.824 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.44 -26.68 28.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -103.23 -2.11 27.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.612 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.58 35.72 19.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -79.22 -16.64 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.68 16.3 39.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.726 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 162.5 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.99 97.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.53 -169.08 1.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -60.7 -27.85 68.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.572 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.1 m -60.58 -49.0 79.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -58.31 -41.6 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tp -56.57 -32.86 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 -35.81 20.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -66.88 -39.7 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -37.85 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -40.69 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -67.85 -35.16 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -66.96 -37.28 83.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.0 mt -83.45 -20.49 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.397 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.06 19.75 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.326 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.9 33.22 19.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -96.19 -32.16 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.0 pt -141.08 131.88 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.46 -19.41 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -78.43 119.54 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mp -138.02 151.07 69.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.696 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.91 170.08 72.69 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.301 -1.541 . . . . 0.0 112.417 0.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.85 106.65 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 76.95 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 4' ' ' LEU . 3.7 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.06 HD12 HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -99.34 125.92 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.674 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.2 m-85 -60.51 92.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.12 -28.45 3.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.411 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -73.48 92.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -86.29 -32.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -77.67 -9.06 58.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.421 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 58.5 57.73 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.03 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -112.36 -16.79 12.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.26 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.08 20.43 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.556 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -167.3 147.28 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.5 99.84 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -109.05 171.26 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -60.61 -31.38 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 m -59.59 -30.94 69.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.24 -31.75 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HA ' HD22 ' A' ' 54' ' ' LEU . . . -68.1 -58.06 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.02 -35.07 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -46.6 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.702 HD22 HD13 ' A' ' 54' ' ' LEU . 17.4 tp -62.07 -37.99 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.72 -32.42 70.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -69.5 -41.97 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -66.93 -45.5 77.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 22' ' ' LEU . 32.8 t -59.35 -31.85 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -76.38 -6.36 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 mtt85 62.56 43.58 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.946 0.403 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -24.15 30.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.6 40.24 2.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.8 tt -102.52 130.27 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 t -81.47 120.5 25.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 pt -141.6 179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.4 86.05 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -56.24 -30.93 63.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -80.4 -31.17 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.92 89.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -59.19 98.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mt -88.64 -26.72 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.51 -10.17 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.423 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 39.34 6.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -77.35 -16.62 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.57 -13.77 42.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.99 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -149.04 147.58 28.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.96 97.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -111.43 -178.12 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.987 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -29.25 59.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.489 HG22 HD11 ' A' ' 53' ' ' ILE . 3.6 m -58.88 -50.3 74.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.747 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.2 m-20 -57.97 -40.46 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.3 tm? -58.0 -52.15 66.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.64 -40.12 94.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.389 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.8 mt -64.59 -42.36 94.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 0.0 110.932 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 22' ' ' LEU . 3.5 tt -63.58 -42.6 98.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -68.47 -44.05 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -62.92 -36.01 81.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CE1' HD22 ' A' ' 65' ' ' LEU . 72.6 t80 -59.57 -42.9 93.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -79.45 -16.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.406 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.63 19.62 8.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.219 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.6 mttp 55.89 39.67 30.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.28 -33.65 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.406 ' CD1' HG23 ' A' ' 53' ' ' ILE . 18.0 pt -140.43 127.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.51 -26.09 9.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 65' ' ' LEU . 26.7 m -78.41 115.24 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -137.48 151.96 72.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE2' ' A' ' 5' ' ' TYR . 77.4 Cg_endo -77.67 167.42 78.95 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.341 -1.524 . . . . 0.0 112.433 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.5 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.811 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 84.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.49 117.13 33.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -61.53 107.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 109.19 27.71 4.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -131.6 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.1 m -84.63 -29.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.75 -8.88 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 60.1 57.12 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -113.17 -16.72 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.92 19.41 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.624 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.91 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.55 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.09 171.26 7.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -58.71 -30.49 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -58.97 -31.4 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -65.56 -35.61 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.79 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.16 -34.11 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.79 85.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 26' ' ' VAL . 50.4 tp -64.38 -43.18 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 51' ' ' LEU . 15.3 ttmm -60.23 -43.8 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -60.39 -33.26 72.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD13 ' A' ' 33' ' ' ILE . 85.5 t80 -75.3 -43.03 53.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 22' ' ' LEU . 17.5 t -59.23 -30.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 tp -84.9 -11.54 55.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 61.7 55.69 2.64 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 32.49 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.5 40.16 96.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -109.62 129.48 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.44 124.79 40.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 25' ' ' TYR . 27.4 pt -146.0 -177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.262 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -92.25 105.78 17.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.56 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -74.99 -30.02 61.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.11 -43.32 95.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.451 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -81.33 -36.26 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.0 -48.25 80.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -59.46 97.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.577 HD11 HD22 ' A' ' 54' ' ' LEU . 65.6 mt -88.69 -23.41 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -102.55 -10.14 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.472 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 61.31 38.58 16.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 p30 -77.28 -16.76 58.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.15 -13.66 44.47 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -153.28 151.14 29.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 26' ' ' VAL . 21.2 t -82.99 97.34 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.967 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -108.24 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.978 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -56.16 -29.79 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -59.76 -47.77 84.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 53' ' ' ILE . 9.0 m-20 -58.28 -43.2 87.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.8 tt -57.71 -34.08 69.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.45 -33.72 42.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.146 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 50' ' ' ASP . 14.6 mt -70.64 -36.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.577 HD22 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.66 -44.21 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -38.56 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -63.08 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.792 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -64.28 -39.58 94.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mt -76.78 -24.2 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 6.86 29.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.413 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.93 32.69 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -95.36 -32.04 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 53' ' ' ILE . 18.0 pt -127.68 127.02 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.44 -29.35 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.8 m -82.01 120.33 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.018 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 64' ' ' THR . 2.5 mp -137.8 154.58 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.7 Cg_endo -75.17 169.42 74.6 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.255 -1.56 . . . . 0.0 112.545 0.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.996 -179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 4' ' ' LEU . 2.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 102.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -122.14 118.69 29.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.604 ' HB3' HD23 ' A' ' 65' ' ' LEU . 6.4 m-85 -57.41 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 112.35 40.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.433 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -132.1 77.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 22' ' ' LEU . 28.9 m -73.53 -37.53 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.343 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -77.69 -8.98 58.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.398 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 58.99 56.0 4.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.887 0.375 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -110.03 -16.75 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.22 23.13 20.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.567 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -167.25 135.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.6 t -85.03 99.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -112.77 171.35 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.17 -30.83 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 20' ' ' VAL . 90.2 m -59.31 -30.64 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.17 -36.24 81.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.776 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.6 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 17' ' ' THR . 10.2 p -69.38 -31.05 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' A' ' 8' ' ' VAL . . . -69.79 -43.26 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 54' ' ' LEU . 55.7 tp -68.11 -34.24 76.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -62.21 -48.58 79.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -59.02 -36.35 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.47 -48.36 75.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 22' ' ' LEU . 23.4 t -65.55 -21.65 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.56 14.15 15.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.387 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 56.18 39.22 30.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.701 0.286 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -70.58 -34.99 72.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.31 39.39 2.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -117.71 126.73 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 m -72.73 143.49 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.8 pt -150.28 -177.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.21 106.24 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -73.82 -30.91 62.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -43.26 98.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -87.18 -34.82 18.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -59.11 -39.37 82.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -66.31 97.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.7 mt -88.68 -24.19 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -101.47 -8.77 21.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.42 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 60.92 39.41 16.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.807 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -77.42 -16.52 58.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.78 43.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -154.58 152.61 30.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -111.43 -177.46 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.009 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -28.9 49.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -48.36 81.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -59.59 -37.88 79.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.687 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.29 -36.14 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.5 14.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.15 -43.1 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 22' ' ' LEU . 33.2 tp -61.79 -47.87 83.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -63.81 -41.99 97.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.89 -40.46 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.56 -43.26 90.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 mt -75.52 -17.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -92.52 16.87 11.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.97 37.17 28.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.74 -40.1 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 pt -131.98 131.42 61.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.07 -22.69 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.677 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.0 t -78.45 123.76 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -136.99 155.13 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.5 Cg_endo -76.64 168.82 76.1 Favored 'Cis proline' 0 C--N 1.346 0.437 0 C-N-CA 123.344 -1.523 . . . . 0.0 112.404 0.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -62.3 87.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 118.72 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 40' ' ' LEU . 51.1 m-85 -56.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.23 -25.38 4.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.597 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.0 91.58 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.0 m -86.25 -30.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -86.99 -8.98 56.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 62.08 54.5 2.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -103.6 -16.74 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.88 17.43 23.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 161.45 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -103.52 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -112.0 -170.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -73.38 -30.48 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 m -58.06 -30.38 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.89 -31.24 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -51.04 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.58 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.66 79.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.4 tp -70.49 -32.01 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -65.61 -35.74 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -65.93 -48.75 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -57.94 -43.02 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.9 t -68.68 -19.61 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.338 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -95.87 25.02 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.13 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.33 30.01 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -67.81 -33.27 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.43 39.96 9.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -100.99 134.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 t -74.09 123.96 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 pt -146.8 175.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 101.2 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.528 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.1 p -67.98 -30.72 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -43.24 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.352 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -79.92 -38.04 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.816 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -46.08 85.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -64.67 103.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mm? -85.56 -32.97 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -94.22 -11.32 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.476 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 59.54 40.85 19.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -77.33 -12.37 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.53 4.29 37.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.052 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -167.24 148.05 5.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.565 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -111.34 -178.67 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -29.66 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -58.38 -50.56 73.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.778 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.95 -42.21 89.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.9 tt -60.58 -43.29 97.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.36 -28.88 74.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.234 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.1 mt -77.06 -36.18 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.831 HD23 HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -64.79 -37.59 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.763 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -65.22 -48.62 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.26 -38.47 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' CE1' HD22 ' A' ' 65' ' ' LEU . 48.4 t80 -62.6 -44.31 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.831 HD11 HD23 ' A' ' 54' ' ' LEU . 15.2 mt -72.88 -21.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mp -93.06 16.74 12.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.78 20.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.59 -45.25 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 57' ' ' TYR . 24.9 pt -113.48 135.42 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.92 -29.03 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.4 m -79.14 122.25 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.072 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 64' ' ' THR . 1.2 mp -140.53 148.99 55.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.5 Cg_endo -76.31 176.61 43.08 Favored 'Cis proline' 0 C--N 1.345 0.391 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.392 0.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.1 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.836 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.771 0.319 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.0 88.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -110.19 124.16 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.73 105.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.85 32.18 2.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -133.16 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.6 m -86.23 -33.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -77.65 -8.95 58.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.74 58.57 2.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -112.65 -16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.65 22.24 16.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -167.26 156.97 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.8 99.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -110.62 172.49 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -62.67 -32.33 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.3 m -59.96 -29.63 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.21 -31.1 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.42 21.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.3 p -59.5 -40.91 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.16 -38.73 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.9 tp -70.31 -37.03 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -59.98 -45.82 91.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -60.35 -39.04 85.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -60.26 -50.61 72.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -61.8 -18.96 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -84.59 6.2 24.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.491 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.34 34.62 10.41 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -31.33 63.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.66 31.0 7.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 tt -90.8 145.23 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -91.46 115.75 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.2 pt -132.96 -177.67 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -95.8 104.56 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -73.61 -31.27 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.12 -34.35 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.87 -42.13 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -64.42 98.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' HB ' ' A' ' 53' ' ' ILE . 37.6 mt -87.27 -27.6 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -97.95 -11.37 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.86 38.79 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -77.3 -16.6 58.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.84 9.95 41.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.915 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.17 143.18 4.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.1 97.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -110.27 179.1 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -58.94 -29.65 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.761 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 53' ' ' ILE . 86.5 m -59.88 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.824 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.3 m-20 -59.17 -41.45 88.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.1 tp -60.88 -32.38 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.69 -34.0 40.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 50' ' ' ASP . 12.1 mt -68.54 -30.26 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.77 -50.04 26.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -60.73 -44.2 96.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -63.92 -31.48 72.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -69.55 -32.32 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 54' ' ' LEU . 21.8 mt -84.33 -21.71 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.04 22.24 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 53.51 29.9 9.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -89.35 -31.16 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 53' ' ' ILE . 17.5 pt -139.01 127.41 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -111.33 13.42 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -109.51 109.43 20.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.7 tp -133.23 140.6 37.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.05 171.33 67.2 Favored 'Cis proline' 0 C--N 1.347 0.488 0 C-N-CA 123.338 -1.526 . . . . 0.0 112.409 0.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 94.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -115.31 154.26 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.692 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 115.33 -27.29 8.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.55 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.94 83.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.0 m -81.72 -33.05 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.65 -8.97 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 61.31 51.17 4.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -112.66 -16.86 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.28 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.92 25.24 17.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 130.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.739 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.22 99.37 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -112.79 -177.04 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -30.34 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -64.17 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' OD1' HG22 ' A' ' 8' ' ' VAL . 8.8 m-20 -66.41 -30.62 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -72.65 -52.42 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.4 p -60.39 -40.58 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 tp -70.53 -31.11 68.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.38 -44.35 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -60.03 -46.9 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.45 -50.51 73.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.0 t -65.4 -25.41 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.238 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.8 tt -88.59 9.09 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.434 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 59.23 48.31 10.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -35.05 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.22 33.01 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -112.02 130.33 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -77.48 133.02 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.5 pt -148.5 176.58 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.79 103.83 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p -75.16 -30.73 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -43.24 96.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.565 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.96 -38.1 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.52 -42.87 88.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.84 97.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.741 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 54' ' ' LEU . 76.1 mt -88.06 -22.75 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.298 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -104.23 -7.38 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.452 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.32 39.71 15.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.45 -16.53 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 10.99 57.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.937 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -167.2 144.13 4.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.586 HG12 HG22 ' A' ' 26' ' ' VAL . 20.3 t -83.1 97.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.41 -178.22 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -58.83 -29.26 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -58.56 -50.32 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.716 ' HA ' HD12 ' A' ' 53' ' ' ILE . 44.6 m-20 -59.36 -40.85 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 23' ' ' LYS . 7.9 tt -60.53 -35.13 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.66 -31.49 58.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.333 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 50' ' ' ASP . 11.9 mt -75.11 -31.24 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.15 -49.19 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -48.61 80.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.82 -48.05 83.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.72 -19.96 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.384 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.38 15.04 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.384 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 55.43 29.05 12.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -90.78 -39.98 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 pt -122.93 126.37 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.75 13.42 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 m -104.76 106.39 16.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.812 0.339 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.4 tp -134.11 138.99 31.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.3 Cg_endo -75.93 163.49 90.04 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.518 0.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 82.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.44 124.56 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 66' ' ' PRO . 80.5 m-85 -59.13 101.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.7 -27.47 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.53 83.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 38' ' ' ALA . 29.1 m -80.98 -28.43 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -89.18 8.86 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.394 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.5 53.04 5.9 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.83 0.348 . . . . 0.0 111.588 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -105.49 -16.81 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.232 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.14 24.69 21.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -167.24 138.71 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.24 99.48 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -110.72 170.42 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 p -61.15 -31.48 71.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -59.61 -30.6 68.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.74 -41.15 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.59 -54.09 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.75 -40.48 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.36 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD22 HD12 ' A' ' 54' ' ' LEU . 20.6 tp -65.21 -36.17 83.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -41.7 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -66.03 -31.98 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' HD13 ' A' ' 33' ' ' ILE . 61.8 t80 -64.93 -44.93 87.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.98 -29.61 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.41 -9.95 59.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.361 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.38 55.6 1.38 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 p -101.27 18.52 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.39 29.58 75.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.59 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.0 tt -88.7 125.58 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 117.88 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' TYR . 32.5 pt -139.89 -177.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -92.08 104.44 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -75.54 -31.02 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -81.1 -35.11 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -39.63 78.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.53 100.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.82 -28.81 24.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -98.21 -11.27 22.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 61.01 40.03 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -77.43 -16.56 58.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 6.55 35.65 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.095 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -167.33 146.01 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.8 t -83.04 96.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -111.48 -178.85 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.3 t -60.53 -29.34 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -51.36 70.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.78 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.1 -41.06 82.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.709 ' O ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -59.19 -34.43 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.17 -35.39 49.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.366 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -70.89 -37.35 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.664 HD12 HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -61.78 -44.6 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.12 -35.56 80.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -43.61 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.611 ' CD1' HD22 ' A' ' 65' ' ' LEU . 71.9 t80 -63.33 -37.38 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 20.1 mt -76.84 -18.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.348 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.59 19.85 9.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.242 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 tttt 55.51 30.89 15.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.74 -41.33 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.11 130.73 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 -27.79 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.1 m -78.46 113.98 16.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 64' ' ' THR . 2.0 mp -136.99 152.65 74.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.761 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 5' ' ' TYR . 73.5 Cg_endo -77.31 171.21 68.8 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.366 -1.514 . . . . 0.0 112.485 0.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 82.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.525 HD23 HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -105.53 127.18 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -58.8 107.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 40' ' ' LEU . . . 116.39 -27.42 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.501 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.25 82.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' OD2' ' A' ' 18' ' ' ASP . 16.9 m -80.92 -29.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -82.52 -8.96 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.76 55.28 3.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -110.66 -16.75 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.57 16.55 24.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.654 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -167.18 160.82 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.585 HG21 ' HE2' ' A' ' 57' ' ' TYR . 22.6 t -96.53 101.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -109.34 170.74 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -59.31 -29.88 67.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 20' ' ' VAL . 88.3 m -57.94 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' OD2' HG22 ' A' ' 8' ' ' VAL . 9.5 m-20 -66.95 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -65.42 -46.66 79.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 17' ' ' THR . 11.0 p -70.4 -33.93 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -39.98 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 HD22 ' A' ' 51' ' ' LEU . 16.6 tp -71.24 -33.73 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.62 -47.29 76.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -62.2 -30.51 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -68.46 -53.74 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -56.95 -30.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 27' ' ' LEU . 7.4 tt -76.53 -9.44 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.297 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 63.75 54.84 1.75 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.941 0.4 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.1 p -97.49 18.92 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.33 37.9 94.42 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -100.53 145.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -103.53 133.39 48.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 pt -152.73 -177.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -90.18 104.54 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -75.82 -28.67 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -43.37 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.576 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -88.45 -30.33 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.88 73.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -60.71 98.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HB ' ' A' ' 53' ' ' ILE . 24.6 mt -87.19 -29.39 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -95.56 -11.31 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.432 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 60.78 37.49 18.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.42 -12.58 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.251 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.6 -13.66 42.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.926 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -154.13 152.71 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.35 97.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -111.41 -177.0 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -55.01 -29.23 56.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -59.64 -48.19 82.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 53' ' ' ILE . 20.2 m-20 -58.24 -45.8 87.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.25 70.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.36 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.3 mt -77.79 -33.53 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.975 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -76.47 -36.46 57.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.781 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -53.77 42.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -63.94 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HE2' HG21 ' A' ' 14' ' ' VAL . 72.6 t80 -60.14 -49.8 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.48 HG12 HG12 ' A' ' 14' ' ' VAL . 15.1 mt -71.67 -18.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 16.31 11.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 30.09 16.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.29 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 53' ' ' ILE . 20.0 pt -117.98 130.3 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.63 13.4 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 7.7 m -108.51 106.37 16.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.821 0.343 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' THR . 4.4 mp -134.11 157.49 77.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.11 163.71 90.02 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.239 -1.567 . . . . 0.0 112.435 0.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.9 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.97 83.21 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 145.29 35.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.36 100.3 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.47 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 124.14 -28.2 5.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.17 81.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.5 m -82.86 -30.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.4 -8.29 59.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 63.13 55.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.951 0.405 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -114.24 -16.74 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.02 20.12 24.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.574 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -167.22 143.87 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.1 99.43 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -112.81 -177.49 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -59.61 -31.12 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -59.17 -31.32 68.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' VAL . 19.7 m-20 -68.42 -31.33 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.17 -43.18 68.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.96 -33.09 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -42.32 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.738 ' O ' HG23 ' A' ' 26' ' ' VAL . 17.8 tp -67.45 -31.12 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -70.69 -38.61 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -63.37 -34.88 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.44 -47.9 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.1 t -60.83 -21.32 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -89.15 9.93 23.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.399 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 57.66 34.82 24.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.988 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -71.38 -31.15 66.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.11 28.5 6.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 tt -91.62 150.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -99.65 123.5 43.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 pt -138.8 -177.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.82 105.27 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -72.39 -29.92 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -43.26 96.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.616 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -80.2 -37.42 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.76 -45.62 85.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -59.22 98.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 54' ' ' LEU . 65.5 mt -87.65 -24.02 24.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -102.28 -6.93 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 60.72 38.19 18.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -77.43 -16.41 58.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.79 16.18 52.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.831 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.68 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.703 0.287 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 22' ' ' LEU . 28.7 t -85.63 97.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.65 -177.39 3.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -58.15 -29.14 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 53' ' ' ILE . 11.1 m-20 -58.21 -43.2 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.6 tt -58.84 -38.31 78.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.399 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.82 -30.61 70.3 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.969 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 50' ' ' ASP . 24.3 mt -79.24 -28.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.811 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -70.19 -52.26 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -61.96 -42.74 99.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -58.88 -32.92 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 62' ' ' ILE . 52.8 t80 -72.42 -34.55 67.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 19' ' ' ALA . 38.4 mt -84.02 -23.05 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.261 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.84 19.11 9.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 55.08 30.87 15.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.68 -32.74 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -134.83 126.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.68 13.41 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.2 m -118.94 106.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.05 152.52 70.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.47 162.35 92.03 Favored 'Cis proline' 0 C--N 1.347 0.464 0 C-N-CA 123.315 -1.535 . . . . 0.0 112.417 0.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.9 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 87.14 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD2' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -115.78 128.18 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 98.3 m-85 -59.68 115.99 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.49 -28.1 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.55 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.28 86.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 38' ' ' ALA . 30.1 m -85.49 -31.93 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.7 -8.96 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.19 56.87 2.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -110.42 -16.74 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.01 17.74 24.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.688 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.27 157.48 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 4' ' ' LEU . 21.9 t -93.39 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -109.71 169.33 8.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 -30.86 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 m -58.7 -28.58 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.92 -40.23 96.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.81 -54.01 45.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.18 -34.78 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.72 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 51' ' ' LEU . 19.7 tp -69.91 -31.24 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 51' ' ' LEU . 26.5 mttm -65.34 -39.35 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -66.06 -40.82 91.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.5 -56.14 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.45 -17.1 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.18 21.81 4.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 44.56 38.17 2.53 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.456 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.07 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.15 31.59 5.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.3 tt -99.93 145.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.075 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.66 120.41 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 pt -129.74 -177.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -91.48 107.51 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.01 -29.62 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.34 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -84.34 -35.67 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.47 -38.91 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -62.68 98.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' A' ' 54' ' ' LEU . 27.0 mt -88.5 -25.24 22.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -100.73 -8.13 23.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.393 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.73 39.26 14.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -77.34 -16.61 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.39 -13.65 43.46 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.061 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.94 149.28 28.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.04 100.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -111.32 -178.44 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.6 m -56.2 -30.81 62.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.445 HG22 HD11 ' A' ' 53' ' ' ILE . 3.1 m -60.47 -47.8 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.68 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 53' ' ' ILE . 17.9 m-20 -57.59 -41.12 80.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 51' ' ' LEU . 6.0 tt -58.32 -39.85 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.682 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.19 -35.93 56.65 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.42 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.7 mt -66.24 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -63.97 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 58' ' ' ILE . 7.2 ttpt -67.77 -41.18 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -61.59 -43.81 98.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.95 -36.59 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -73.26 -28.37 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.266 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.25 23.79 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.211 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 52.65 28.5 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -83.3 -30.7 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 53' ' ' ILE . 10.7 pt -135.2 133.56 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.14 13.38 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.611 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.1 t -122.77 115.67 22.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.71 0.29 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 64' ' ' THR . 3.1 mp -132.31 151.37 78.2 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.824 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 71.7 Cg_endo -76.7 166.61 82.23 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 123.37 -1.512 . . . . 0.0 112.402 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.44 91.73 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 5' ' ' TYR . 0.2 OUTLIER -117.05 164.96 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.454 ' H ' HD23 ' A' ' 4' ' ' LEU . 58.9 m-85 -85.6 106.3 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.27 7.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -68.81 80.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 38' ' ' ALA . 31.3 m -77.99 -35.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -78.12 -8.92 58.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 t0 60.94 54.29 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -110.15 -16.84 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.75 23.01 12.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -167.2 161.28 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -109.2 99.44 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 17' ' ' THR . 15.6 t-20 -111.83 172.7 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 p -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.79 -29.85 68.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -59.54 -45.37 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.79 -38.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.33 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.7 tp -61.31 -41.47 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -67.6 -31.4 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 33' ' ' ILE . 60.1 t80 -71.61 -39.06 70.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -66.44 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.57 -3.24 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.339 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.19 55.61 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -93.28 15.7 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.43 40.21 96.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.572 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 12.5 tt -106.93 127.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -86.03 119.08 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 25' ' ' TYR . 25.1 pt -138.72 171.69 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.4 97.92 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.3 p -64.14 -29.92 71.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -43.28 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.461 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.41 -34.57 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.733 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.63 -45.27 85.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.18 99.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 HD23 ' A' ' 54' ' ' LEU . 1.7 mt -88.52 -27.57 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -97.4 -11.27 24.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.12 37.97 20.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.38 -16.5 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.52 -13.68 42.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.36 144.41 28.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 22' ' ' LEU . 22.0 t -82.94 97.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.36 -177.54 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -55.87 -28.61 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -52.23 66.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' A' ' 53' ' ' ILE . 8.8 m-20 -56.4 -40.38 74.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -60.02 -47.39 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.23 -38.12 95.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.328 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' A' ' 50' ' ' ASP . 22.3 mt -60.09 -43.85 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.31 -47.71 81.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -63.71 -48.59 76.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.65 -33.07 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.03 -41.63 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 58' ' ' ILE . 31.3 mt -86.35 -10.52 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.579 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.86 21.22 7.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.229 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.4 28.28 7.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -93.33 -36.66 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.86 116.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -109.14 13.51 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -110.67 106.43 15.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.72 151.43 54.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.31 171.62 67.21 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.321 -1.533 . . . . 0.0 112.366 -0.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -75.34 82.94 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 134.5 40.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -72.36 103.88 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.66 24.81 4.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.596 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.4 84.96 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.774 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 18' ' ' ASP . 19.1 m -78.86 -29.14 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.95 -9.0 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 t70 56.6 56.4 5.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -112.19 -16.76 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.9 22.18 18.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.636 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.31 136.26 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.772 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 6' ' ' GLY . 22.9 t -83.45 99.52 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -111.47 171.23 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -61.14 -30.38 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.8 m -58.83 -31.26 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 8' ' ' VAL . 3.0 m-20 -69.05 -31.37 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -64.73 -50.89 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.75 -35.8 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.18 89.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.509 ' CD2' HD22 ' A' ' 54' ' ' LEU . 29.8 tp -66.93 -33.45 75.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.79 -46.37 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -59.86 -31.58 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.0 -54.9 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.78 -25.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -81.17 0.43 36.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.74 39.74 6.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 -31.01 57.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.51 31.42 4.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.0 tt -106.72 116.6 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.088 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 130.96 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 pt -134.39 -178.95 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.79 106.81 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.519 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -72.92 -29.23 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -43.41 98.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -88.29 -32.57 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.73 -46.94 83.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -57.94 97.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 54' ' ' LEU . 92.2 mt -88.7 -25.65 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.44 -11.13 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.91 37.2 12.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -77.44 -16.58 58.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -13.68 58.36 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.885 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -142.38 141.69 32.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.02 97.17 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -110.54 -179.46 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -58.63 -31.01 67.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD11 ' A' ' 53' ' ' ILE . 24.4 m -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 53' ' ' ILE . 41.2 m-20 -60.23 -38.67 84.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 23' ' ' LYS . 58.7 tp -61.96 -35.68 79.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.49 -28.3 61.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 50' ' ' ASP . 7.3 mt -76.29 -29.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 19' ' ' ALA . 6.8 tp -69.61 -59.3 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -59.58 -43.36 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.05 -29.98 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.83 -24.38 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.25 23.54 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 54.83 39.0 31.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.93 -36.99 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 ' O ' ' A' ' 53' ' ' ILE . 25.8 pt -132.99 138.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.22 -21.83 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -78.44 124.14 27.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 tp -147.93 140.1 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 65' ' ' LEU . 72.4 Cg_endo -77.16 168.96 75.49 Favored 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.49 0.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.945 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.2 95.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.54 160.21 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -86.11 112.52 21.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.95 -28.85 14.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.432 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -71.05 88.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.3 m -82.38 -30.02 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.351 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -83.66 -8.91 59.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.23 52.52 4.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.93 0.395 . . . . 0.0 111.022 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -105.41 -16.82 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.65 24.54 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.569 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.34 100.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -111.6 170.69 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -30.6 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.3 m -58.44 -30.8 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.01 -32.95 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.45 -54.01 12.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.63 -39.01 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.36 93.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 51' ' ' LEU . 38.6 tp -64.48 -32.57 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.9 -44.97 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -61.52 -39.86 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -64.76 -45.4 86.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 22' ' ' LEU . 25.7 t -73.13 -20.77 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.272 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.4 tp -80.81 0.45 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.509 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 66.4 35.0 5.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.893 0.378 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -80.43 -38.58 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.37 40.27 2.1 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 24' ' ' ARG . 12.3 tt -95.35 153.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -99.95 120.15 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.4 pt -144.37 168.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.24 97.19 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.4 p -66.13 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -43.41 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.466 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -79.43 -36.18 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -59.33 98.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.6 mt -88.49 -23.74 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -102.72 -5.08 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.497 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 60.3 39.62 18.69 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -77.32 -16.64 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.5 8.33 58.57 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.017 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.29 146.85 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.59 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.98 97.14 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -111.43 -179.58 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -59.14 -30.95 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.36 -48.17 82.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.832 ' HA ' HD12 ' A' ' 53' ' ' ILE . 56.7 m-20 -58.74 -41.81 87.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.4 tp -59.6 -32.84 70.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.41 -35.28 33.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.306 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.2 mt -68.59 -32.82 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.861 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.18 -44.21 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.806 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -60.77 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.96 -48.37 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 19' ' ' ALA . 48.5 mt -68.13 -20.53 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.0 8.96 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt 60.31 30.72 20.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -93.74 -34.78 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 pt -130.01 128.44 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.17 13.49 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 65' ' ' LEU . 62.3 m -112.73 106.51 14.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 64' ' ' THR . 3.5 mp -125.3 154.75 72.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.46 161.45 93.78 Favored 'Cis proline' 0 C--N 1.345 0.373 0 C-N-CA 123.307 -1.539 . . . . 0.0 112.384 0.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.764 0.316 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 98.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.15 127.25 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -65.28 113.56 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 102.61 29.19 6.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -128.62 84.65 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.1 m -80.65 -36.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.311 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.85 -8.98 58.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 t0 60.03 58.17 2.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -113.16 -16.81 12.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.279 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.25 23.83 18.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.22 144.3 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.9 t -92.3 100.21 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.672 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.7 t-20 -111.43 172.77 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.34 -31.15 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.9 -33.08 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -53.51 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.35 -35.31 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.95 96.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 46' ' ' VAL . 12.3 tp -69.21 -31.03 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.79 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -45.21 82.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -58.33 -49.68 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' LEU . 26.2 t -67.53 -17.51 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.06 20.25 6.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.406 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 57.05 30.24 17.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -71.43 -31.23 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.77 28.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.417 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.48 148.81 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 116.68 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -128.06 -178.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.79 104.29 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.616 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.7 p -69.8 -30.31 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.648 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.33 95.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.444 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.9 -38.55 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.22 -46.01 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.13 97.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD12 ' A' ' 54' ' ' LEU . 79.9 mt -87.98 -24.21 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.276 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -103.29 -5.77 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.498 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.59 39.54 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -77.38 -16.58 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.35 -13.7 43.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.032 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -155.72 151.52 27.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.03 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -110.88 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -55.87 -30.18 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.56 -44.6 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.6 m-20 -61.15 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.17 -33.27 62.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.652 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.72 -28.11 57.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.274 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 50' ' ' ASP . 16.9 mt -78.45 -44.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.08 -50.37 61.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -59.94 -47.05 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -63.34 -41.33 98.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 64.2 t80 -58.28 -42.73 87.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.33 -18.74 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.331 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.57 21.41 7.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.223 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 55.18 29.05 11.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.32 -31.91 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.98 130.39 25.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.76 -14.58 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -78.41 106.6 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD22 ' CZ ' ' A' ' 57' ' ' TYR . 10.0 tp -129.19 139.56 36.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.661 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.0 Cg_endo -76.17 173.12 59.71 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.474 -1.469 . . . . 0.0 112.481 0.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HB2' HG21 ' A' ' 53' ' ' ILE . 68.3 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -70.22 90.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 125.66 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.16 118.16 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.737 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 98.52 28.14 8.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -125.91 79.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 22' ' ' LEU . 27.6 m -77.23 -36.15 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -78.35 -9.03 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.407 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.43 58.87 2.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -112.24 -16.79 12.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.4 21.94 23.25 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.553 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.27 137.46 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.39 99.43 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.8 171.15 7.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.9 p -59.0 -30.27 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 20' ' ' VAL . 89.6 m -59.47 -30.66 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.73 -37.15 76.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.42 69.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 17' ' ' THR . 10.3 p -59.97 -32.08 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.72 68.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.5 tp -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 7.4 tmtt? -69.88 -44.04 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -37.78 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.21 -53.54 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.23 -17.59 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.486 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' NZ ' ' A' ' 23' ' ' LYS . 16.2 tp -88.69 12.54 14.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.443 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 58.85 38.72 24.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.848 0.356 . . . . 0.0 111.014 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -80.36 -2.4 45.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.77 75.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 tt -97.33 134.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 111.059 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -91.03 118.45 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 22' ' ' LEU . 26.5 pt -125.29 176.42 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.67 107.52 18.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 81.5 p -76.68 -28.58 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.31 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -87.25 -33.67 19.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.742 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 35' ' ' THR . . . -59.06 -41.58 88.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -63.08 98.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.902 HD11 HD12 ' A' ' 54' ' ' LEU . 71.3 mt -88.65 -25.48 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.19 -9.3 22.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.399 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 62.84 36.59 12.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -77.33 -16.66 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.71 15.47 54.63 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.744 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.23 136.42 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.99 97.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 -171.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 p -60.76 -27.87 68.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.651 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.3 m -59.97 -52.23 66.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -56.75 -41.94 78.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.765 ' HA ' HD23 ' A' ' 22' ' ' LEU . 60.6 tp -56.38 -30.58 62.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.97 -32.48 32.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.397 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.425 ' HB ' HD12 ' A' ' 40' ' ' LEU . 49.1 mt -70.63 -32.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.902 HD12 HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.93 -48.98 26.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.76 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.8 ttmt -61.05 -41.56 96.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.7 -32.84 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.86 -41.01 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mt -80.74 -16.53 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.478 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 55' ' ' LYS . 3.8 mm? -94.17 20.72 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.34 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 55.4 30.86 15.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.55 -32.77 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 pt -141.08 133.82 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.56 13.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.2 m -110.04 107.02 16.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 64' ' ' THR . 3.4 mp -133.16 152.08 78.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.1 158.33 96.46 Favored 'Cis proline' 0 C--N 1.348 0.508 0 C-N-CA 123.32 -1.533 . . . . 0.0 112.428 -0.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 4' ' ' LEU . 7.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 89.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.562 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -110.11 159.47 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.54 115.42 19.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.12 -27.25 16.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -64.06 82.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.4 m -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -85.8 -6.7 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.387 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.58 54.64 2.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -113.01 -16.82 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.325 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.88 61.44 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.78 143.06 48.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.4 100.05 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -112.54 -173.15 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -65.67 -30.13 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -59.76 -31.31 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 8' ' ' VAL . 9.0 m-20 -69.2 -31.63 70.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -67.44 -57.22 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.43 -26.55 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.13 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 ' CG1' ' A' ' 46' ' ' VAL . 61.5 tp -65.46 -38.81 90.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -58.26 -46.57 85.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -59.96 -34.1 72.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -74.25 -53.21 10.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.524 HG22 HG12 ' A' ' 46' ' ' VAL . 22.0 t -64.14 -23.9 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.17 9.35 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 57.59 44.19 21.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -80.73 -30.83 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.67 40.23 2.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 tt -110.17 146.01 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t -98.65 116.41 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 pt -138.02 -178.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -90.18 99.44 12.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.737 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.9 p -69.4 -30.99 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.633 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -80.11 -33.29 38.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.14 -39.17 74.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -60.05 98.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' A' ' 54' ' ' LEU . 75.1 mt -88.46 -18.6 27.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.396 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -109.74 -6.7 15.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.526 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 61.24 37.99 16.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -77.29 -16.72 58.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.184 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.24 -13.7 48.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 147.81 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.63 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.14 97.22 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -111.25 -177.82 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -55.85 -29.15 59.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.587 HG22 HD11 ' A' ' 53' ' ' ILE . 5.5 m -59.25 -47.87 83.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 53' ' ' ILE . 2.7 m-20 -58.97 -45.2 91.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.7 tp -58.06 -34.88 70.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.729 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.06 -32.22 53.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.261 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.7 mt -75.15 -32.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.02 -39.03 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -62.3 -49.43 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -62.4 -32.65 73.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.781 ' CE1' HD22 ' A' ' 65' ' ' LEU . 20.1 t80 -64.38 -44.95 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 27.3 mt -73.6 -28.01 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.02 -4.51 44.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.415 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? 68.61 40.65 1.82 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -108.24 -33.92 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 53' ' ' ILE . 26.4 pt -115.55 132.37 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -24.79 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.1 m -78.49 122.92 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 0.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -146.67 141.08 15.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.0 Cg_endo -77.62 167.63 78.49 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.41 -1.496 . . . . 0.0 112.525 0.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 4' ' ' LEU . 8.8 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.07 98.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.939 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -117.81 150.97 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -88.1 100.65 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.437 ' O ' HD21 ' A' ' 54' ' ' LEU . . . 122.03 -28.21 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.387 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -64.34 84.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.7 m -79.81 -34.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.95 -8.93 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.329 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 59.52 56.22 3.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -112.88 -16.87 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.38 20.78 24.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.554 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -167.23 135.84 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -84.96 99.37 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -112.92 -177.83 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -60.91 -30.61 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -61.91 -29.72 70.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 8' ' ' VAL . 9.8 m-20 -63.48 -30.46 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.77 -54.35 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.6 p -59.11 -41.25 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.38 -52.99 63.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 54' ' ' LEU . 34.3 tp -61.43 -34.57 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -48.6 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -57.05 -33.26 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -70.7 -60.53 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 22' ' ' LEU . 15.2 t -58.14 -23.56 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 4.39 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.553 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 61.39 38.29 16.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.318 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -74.52 -31.24 62.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.09 29.74 5.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 tt -106.21 158.1 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 127.66 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.7 pt -131.46 -179.37 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.06 105.7 17.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -73.92 -30.89 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.512 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -84.19 -37.57 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.783 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.27 -39.74 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.37 98.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD11 ' HG ' ' A' ' 54' ' ' LEU . 36.5 mt -88.72 -22.08 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -101.78 -9.98 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.71 38.95 18.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.862 0.363 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.29 -16.57 58.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.8 10.18 50.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.048 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.25 139.92 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.13 97.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.95 -178.21 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -29.08 62.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -48.49 81.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.01 -43.66 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.6 tp -58.88 -33.91 71.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.16 -29.03 57.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.218 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.2 mt -80.19 -33.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.717 0.294 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.11 -43.93 73.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -64.28 -46.36 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -62.46 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.35 -37.91 80.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 14' ' ' VAL . 20.7 mt -83.34 -18.9 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 19.27 9.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.13 31.89 17.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -94.01 -34.49 13.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.55 121.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.72 13.51 21.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 65' ' ' LEU . 30.5 m -111.55 106.44 15.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 64' ' ' THR . 3.3 mp -128.81 155.12 79.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.4 Cg_endo -75.78 166.48 82.88 Favored 'Cis proline' 0 C--N 1.346 0.445 0 C-N-CA 123.261 -1.558 . . . . 0.0 112.442 -0.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -68.15 89.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.788 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.73 115.07 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.614 ' HB3' HD23 ' A' ' 65' ' ' LEU . 49.7 m-85 -61.05 102.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.25 25.71 4.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.468 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -128.64 86.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 38' ' ' ALA . 12.6 m -82.05 -28.8 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -87.15 5.86 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 43.84 56.64 4.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 111.417 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -105.79 -16.73 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.69 25.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.677 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -167.25 148.21 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 HG12 ' A' ' 58' ' ' ILE . 21.4 t -91.11 99.55 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.636 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -29.66 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.4 t -59.31 -30.52 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.43 -35.49 79.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -53.08 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.8 p -63.91 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 51' ' ' LEU . 22.7 tp -67.51 -31.76 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG3' HD21 ' A' ' 51' ' ' LEU . 2.5 ttpp -63.92 -45.08 90.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -59.95 -39.05 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.18 -37.05 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 12.8 t -76.57 -20.06 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -94.03 21.51 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 55.21 30.48 14.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.1 p -62.78 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 29.18 19.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -96.49 120.39 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -72.62 115.4 11.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 pt -126.27 178.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.15 102.29 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -67.97 -31.26 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -43.41 98.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.399 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -81.82 -37.98 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.43 -52.75 64.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -59.26 98.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.5 mt -88.64 -24.21 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.306 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -100.56 -11.35 20.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.476 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 59.37 39.47 22.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -77.26 -16.61 58.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 4.65 37.34 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.987 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 143.84 4.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -82.98 97.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -110.99 -178.09 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 p -57.02 -28.84 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -50.38 74.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.2 -43.82 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 22' ' ' LEU . 42.9 tp -57.97 -33.94 69.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.26 -34.28 51.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.213 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' O ' HD11 ' A' ' 62' ' ' ILE . 49.5 mt -72.16 -33.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.494 HD23 HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -72.73 -49.61 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 59' ' ' LEU . 23.0 ttmt -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -36.07 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.3 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.556 HG12 HG12 ' A' ' 14' ' ' VAL . 32.9 mt -84.24 -19.63 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.373 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 55' ' ' LYS . 7.8 mp -95.29 22.57 6.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt 54.36 30.18 12.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.53 -31.14 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 53' ' ' ILE . 3.6 pt -148.74 131.27 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -120.78 13.45 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 65' ' ' LEU . 63.8 m -105.51 106.35 16.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 64' ' ' THR . 4.1 mp -135.8 154.14 77.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.95 158.48 97.87 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.394 0.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.708 0.29 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 85.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -121.43 127.04 50.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.44 ' N ' HD23 ' A' ' 4' ' ' LEU . 14.8 m-85 -60.01 101.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.94 13.4 7.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.76 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -105.18 72.54 1.0 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.953 0.406 . . . . 0.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.915 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -72.36 -30.43 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.243 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.47 -8.96 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t70 58.11 59.46 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -122.23 -0.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.15 25.98 65.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -167.2 130.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.78 99.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -112.72 -176.3 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m -59.09 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 20' ' ' VAL . 17.6 m -58.9 -37.24 76.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -62.95 -32.68 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.97 -54.05 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 21' ' ' ALA . 11.1 p -60.55 -41.82 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -62.58 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 8' ' ' VAL . 16.3 tp -62.02 -36.35 81.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.83 -41.18 97.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HB2' HG21 ' A' ' 31' ' ' ILE . 8.6 mmt85 -59.98 -38.0 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.26 -51.31 46.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -62.0 -23.14 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.79 10.84 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.67 30.63 20.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.3 31.84 5.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 24' ' ' ARG . 19.0 tt -102.91 147.07 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.55 131.87 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.7 pt -142.11 -178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.3 m-80 -91.31 103.98 16.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.652 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -74.4 -30.58 62.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -43.28 99.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.661 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -87.93 -29.29 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.278 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -58.34 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 53' ' ' ILE . 1.4 mt -86.9 -28.78 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -96.82 -5.85 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.56 37.52 19.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -77.4 -16.47 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.38 -13.72 43.49 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.18 150.21 29.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.339 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.92 97.27 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.987 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -109.91 -177.33 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -54.59 -29.22 50.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -45.07 93.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 53' ' ' ILE . 4.6 m-20 -60.73 -43.02 98.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.627 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.66 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.9 tp -58.01 -36.43 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.14 -29.18 62.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.336 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.7 mt -78.59 -35.11 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.626 ' CD1' HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -65.11 -37.06 86.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -77.69 -49.1 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -61.47 -34.71 75.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE1' HD22 ' A' ' 65' ' ' LEU . 36.9 t80 -64.85 -50.3 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' A' ' 54' ' ' LEU . 29.2 mt -68.66 -20.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.87 11.79 19.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.435 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt 56.49 29.96 16.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.755 0.312 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -92.37 -31.63 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.6 pt -130.29 118.35 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -107.82 13.38 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.14 106.39 16.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 110.731 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 65' ' ' LEU . 1.3 tp -128.56 143.02 46.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 74.1 Cg_endo -77.07 165.21 85.42 Favored 'Cis proline' 0 C--N 1.346 0.414 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.287 0.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -179.819 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 85.75 7.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -108.44 114.82 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.81 103.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 126.79 -25.74 5.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -67.37 74.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.852 HG11 HD13 ' A' ' 22' ' ' LEU . 8.8 m -73.28 -30.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -85.38 -8.86 58.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.507 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.58 52.59 3.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.379 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -108.23 -16.83 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.91 55.29 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -136.65 146.33 45.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 HD23 ' A' ' 4' ' ' LEU . 21.3 t -93.19 99.45 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -111.98 172.78 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m -58.99 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 15' ' ' ASN . 9.0 t -58.79 -31.2 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 8' ' ' VAL . 4.0 m-20 -65.43 -32.66 74.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -52.49 29.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 17' ' ' THR . 10.8 p -59.75 -32.12 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.53 71.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.852 HD13 HG11 ' A' ' 8' ' ' VAL . 9.9 tp -72.56 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -57.74 -34.01 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -70.8 -36.02 72.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -69.95 -44.83 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.2 -22.43 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.65 14.9 13.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 56.12 36.8 28.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -67.17 -30.63 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.96 34.49 5.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.577 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.4 tt -114.31 117.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 m -72.03 121.31 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CD1' HD12 ' A' ' 22' ' ' LEU . 34.9 pt -127.43 179.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.77 106.92 18.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.626 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -78.81 -30.48 45.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.29 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -85.83 -31.62 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.851 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.15 -39.79 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.6 98.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.824 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -84.44 -26.68 28.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -103.23 -2.11 27.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.612 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.58 35.72 19.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -79.22 -16.64 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.68 16.3 39.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.726 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 162.5 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 22' ' ' LEU . 21.5 t -112.99 97.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.53 -169.08 1.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -60.7 -27.85 68.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.572 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.791 HG22 HD11 ' A' ' 53' ' ' ILE . 94.1 m -60.58 -49.0 79.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.729 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.31 -41.6 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 22' ' ' LEU . 8.2 tp -56.57 -32.86 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 -35.81 20.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.791 HD11 HG22 ' A' ' 49' ' ' THR . 11.4 mt -66.88 -39.7 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD13 HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -70.61 -37.85 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -40.69 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -67.85 -35.16 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CE1' HD22 ' A' ' 65' ' ' LEU . 38.3 t80 -66.96 -37.28 83.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.0 mt -83.45 -20.49 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.397 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.06 19.75 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.326 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.9 33.22 19.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -96.19 -32.16 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 53' ' ' ILE . 24.0 pt -141.08 131.88 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.46 -19.41 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 65' ' ' LEU . 91.3 m -78.43 119.54 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.692 HD21 HD11 ' A' ' 40' ' ' LEU . 2.1 mp -138.02 151.07 69.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.696 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.91 170.08 72.69 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.301 -1.541 . . . . 0.0 112.417 0.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 4' ' ' LEU . 3.7 t -137.83 161.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.06 HD12 HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -99.34 125.92 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.674 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.2 m-85 -60.51 92.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.12 -28.45 3.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.411 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -73.48 92.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -86.29 -32.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -77.67 -9.06 58.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.421 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 58.5 57.73 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.03 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -112.36 -16.79 12.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.26 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.08 20.43 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.556 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -167.3 147.28 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.5 99.84 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -109.05 171.26 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -60.61 -31.38 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 m -59.59 -30.94 69.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.24 -31.75 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HA ' HD22 ' A' ' 54' ' ' LEU . . . -68.1 -58.06 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.02 -35.07 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -46.6 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.702 HD22 HD13 ' A' ' 54' ' ' LEU . 17.4 tp -62.07 -37.99 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.72 -32.42 70.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -69.5 -41.97 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -66.93 -45.5 77.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 22' ' ' LEU . 32.8 t -59.35 -31.85 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -76.38 -6.36 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 mtt85 62.56 43.58 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.946 0.403 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -24.15 30.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.6 40.24 2.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.8 tt -102.52 130.27 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 t -81.47 120.5 25.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 pt -141.6 179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.4 86.05 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -56.24 -30.93 63.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -80.4 -31.17 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.92 89.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -59.19 98.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mt -88.64 -26.72 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.51 -10.17 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.423 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 39.34 6.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -77.35 -16.62 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.57 -13.77 42.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.99 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -149.04 147.58 28.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.96 97.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -111.43 -178.12 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.987 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -29.25 59.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.489 HG22 HD11 ' A' ' 53' ' ' ILE . 3.6 m -58.88 -50.3 74.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.747 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.2 m-20 -57.97 -40.46 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.3 tm? -58.0 -52.15 66.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.64 -40.12 94.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.389 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.8 mt -64.59 -42.36 94.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 0.0 110.932 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 22' ' ' LEU . 3.5 tt -63.58 -42.6 98.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -68.47 -44.05 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -62.92 -36.01 81.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CE1' HD22 ' A' ' 65' ' ' LEU . 72.6 t80 -59.57 -42.9 93.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -79.45 -16.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.406 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.63 19.62 8.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.219 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.6 mttp 55.89 39.67 30.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.28 -33.65 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.406 ' CD1' HG23 ' A' ' 53' ' ' ILE . 18.0 pt -140.43 127.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.51 -26.09 9.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 65' ' ' LEU . 26.7 m -78.41 115.24 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -137.48 151.96 72.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE2' ' A' ' 5' ' ' TYR . 77.4 Cg_endo -77.67 167.42 78.95 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.341 -1.524 . . . . 0.0 112.433 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -82.27 153.23 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.811 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.05 89.55 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t30 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.873 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.881 0.372 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -91.55 170.41 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 84.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.49 117.13 33.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -61.53 107.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.451 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 109.19 27.71 4.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -131.6 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.1 m -84.63 -29.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.75 -8.88 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 60.1 57.12 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -113.17 -16.72 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.92 19.41 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.624 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.91 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.55 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.09 171.26 7.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -58.71 -30.49 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -58.97 -31.4 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -65.56 -35.61 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.79 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.16 -34.11 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.79 85.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 26' ' ' VAL . 50.4 tp -64.38 -43.18 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 51' ' ' LEU . 15.3 ttmm -60.23 -43.8 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -60.39 -33.26 72.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD13 ' A' ' 33' ' ' ILE . 85.5 t80 -75.3 -43.03 53.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 22' ' ' LEU . 17.5 t -59.23 -30.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 tp -84.9 -11.54 55.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 61.7 55.69 2.64 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 32.49 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.5 40.16 96.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -109.62 129.48 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.44 124.79 40.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 25' ' ' TYR . 27.4 pt -146.0 -177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.262 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -92.25 105.78 17.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.56 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -74.99 -30.02 61.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.11 -43.32 95.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.451 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -81.33 -36.26 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.0 -48.25 80.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -59.46 97.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.577 HD11 HD22 ' A' ' 54' ' ' LEU . 65.6 mt -88.69 -23.41 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -102.55 -10.14 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.472 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 61.31 38.58 16.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 p30 -77.28 -16.76 58.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.15 -13.66 44.47 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -153.28 151.14 29.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 26' ' ' VAL . 21.2 t -82.99 97.34 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.967 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -108.24 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.978 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -56.16 -29.79 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -59.76 -47.77 84.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 53' ' ' ILE . 9.0 m-20 -58.28 -43.2 87.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.8 tt -57.71 -34.08 69.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.45 -33.72 42.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.146 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 50' ' ' ASP . 14.6 mt -70.64 -36.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.577 HD22 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.66 -44.21 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -38.56 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -63.08 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.792 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -64.28 -39.58 94.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mt -76.78 -24.2 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 6.86 29.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.413 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.93 32.69 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -95.36 -32.04 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 53' ' ' ILE . 18.0 pt -127.68 127.02 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.44 -29.35 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.8 m -82.01 120.33 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.018 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 64' ' ' THR . 2.5 mp -137.8 154.58 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.7 Cg_endo -75.17 169.42 74.6 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.255 -1.56 . . . . 0.0 112.545 0.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -70.83 133.8 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.996 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.96 76.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.944 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.83 0.348 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 4' ' ' LEU . 2.6 t -77.36 161.83 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 102.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -122.14 118.69 29.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.604 ' HB3' HD23 ' A' ' 65' ' ' LEU . 6.4 m-85 -57.41 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 112.35 40.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.433 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -132.1 77.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 22' ' ' LEU . 28.9 m -73.53 -37.53 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.343 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -77.69 -8.98 58.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.398 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 58.99 56.0 4.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.887 0.375 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -110.03 -16.75 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.22 23.13 20.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.567 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -167.25 135.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.6 t -85.03 99.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -112.77 171.35 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.17 -30.83 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 20' ' ' VAL . 90.2 m -59.31 -30.64 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.17 -36.24 81.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.776 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.6 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 17' ' ' THR . 10.2 p -69.38 -31.05 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' A' ' 8' ' ' VAL . . . -69.79 -43.26 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 54' ' ' LEU . 55.7 tp -68.11 -34.24 76.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -62.21 -48.58 79.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -59.02 -36.35 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.47 -48.36 75.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 22' ' ' LEU . 23.4 t -65.55 -21.65 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.56 14.15 15.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.387 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 56.18 39.22 30.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.701 0.286 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -70.58 -34.99 72.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.31 39.39 2.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -117.71 126.73 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 m -72.73 143.49 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.8 pt -150.28 -177.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.21 106.24 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -73.82 -30.91 62.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -43.26 98.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -87.18 -34.82 18.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -59.11 -39.37 82.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -66.31 97.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.7 mt -88.68 -24.19 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -101.47 -8.77 21.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.42 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 60.92 39.41 16.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.807 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -77.42 -16.52 58.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.78 43.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -154.58 152.61 30.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -111.43 -177.46 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.009 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -28.9 49.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -48.36 81.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -59.59 -37.88 79.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.687 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.29 -36.14 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.5 14.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.15 -43.1 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 22' ' ' LEU . 33.2 tp -61.79 -47.87 83.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -63.81 -41.99 97.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.89 -40.46 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.56 -43.26 90.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 mt -75.52 -17.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -92.52 16.87 11.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.97 37.17 28.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.74 -40.1 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 pt -131.98 131.42 61.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.07 -22.69 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.677 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.0 t -78.45 123.76 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -136.99 155.13 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.5 Cg_endo -76.64 168.82 76.1 Favored 'Cis proline' 0 C--N 1.346 0.437 0 C-N-CA 123.344 -1.523 . . . . 0.0 112.404 0.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -77.09 108.81 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -114.78 100.27 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.0 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.95 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.922 0.391 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -105.87 155.66 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -62.3 87.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 118.72 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 40' ' ' LEU . 51.1 m-85 -56.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.23 -25.38 4.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.597 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.0 91.58 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.0 m -86.25 -30.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -86.99 -8.98 56.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 62.08 54.5 2.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -103.6 -16.74 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.88 17.43 23.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 161.45 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -103.52 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -112.0 -170.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -73.38 -30.48 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 m -58.06 -30.38 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.89 -31.24 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -51.04 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.58 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.66 79.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.4 tp -70.49 -32.01 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -65.61 -35.74 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -65.93 -48.75 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -57.94 -43.02 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.9 t -68.68 -19.61 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.338 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -95.87 25.02 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.13 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.33 30.01 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -67.81 -33.27 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.43 39.96 9.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -100.99 134.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 t -74.09 123.96 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 pt -146.8 175.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 101.2 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.528 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.1 p -67.98 -30.72 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -43.24 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.352 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -79.92 -38.04 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.816 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -46.08 85.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -64.67 103.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mm? -85.56 -32.97 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -94.22 -11.32 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.476 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 59.54 40.85 19.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -77.33 -12.37 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.53 4.29 37.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.052 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -167.24 148.05 5.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.565 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -111.34 -178.67 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -29.66 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -58.38 -50.56 73.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.778 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.95 -42.21 89.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.9 tt -60.58 -43.29 97.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.36 -28.88 74.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.234 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.1 mt -77.06 -36.18 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.831 HD23 HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -64.79 -37.59 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.763 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -65.22 -48.62 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.26 -38.47 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' CE1' HD22 ' A' ' 65' ' ' LEU . 48.4 t80 -62.6 -44.31 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.831 HD11 HD23 ' A' ' 54' ' ' LEU . 15.2 mt -72.88 -21.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mp -93.06 16.74 12.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.78 20.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.59 -45.25 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 57' ' ' TYR . 24.9 pt -113.48 135.42 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.92 -29.03 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.4 m -79.14 122.25 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.072 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 64' ' ' THR . 1.2 mp -140.53 148.99 55.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.5 Cg_endo -76.31 176.61 43.08 Favored 'Cis proline' 0 C--N 1.345 0.391 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.392 0.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.68 140.05 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -108.66 86.76 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.912 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.86 0.362 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -62.02 169.46 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.0 88.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -110.19 124.16 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.73 105.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.85 32.18 2.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -133.16 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.6 m -86.23 -33.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -77.65 -8.95 58.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.74 58.57 2.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -112.65 -16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.65 22.24 16.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -167.26 156.97 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.8 99.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -110.62 172.49 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -62.67 -32.33 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.3 m -59.96 -29.63 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.21 -31.1 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.42 21.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.3 p -59.5 -40.91 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.16 -38.73 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.9 tp -70.31 -37.03 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -59.98 -45.82 91.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -60.35 -39.04 85.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -60.26 -50.61 72.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -61.8 -18.96 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -84.59 6.2 24.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.491 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.34 34.62 10.41 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -31.33 63.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.66 31.0 7.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 tt -90.8 145.23 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -91.46 115.75 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.2 pt -132.96 -177.67 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -95.8 104.56 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -73.61 -31.27 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.12 -34.35 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.87 -42.13 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -64.42 98.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' HB ' ' A' ' 53' ' ' ILE . 37.6 mt -87.27 -27.6 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -97.95 -11.37 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.86 38.79 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -77.3 -16.6 58.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.84 9.95 41.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.915 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.17 143.18 4.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.1 97.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -110.27 179.1 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -58.94 -29.65 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.761 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 53' ' ' ILE . 86.5 m -59.88 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.824 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.3 m-20 -59.17 -41.45 88.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.1 tp -60.88 -32.38 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.69 -34.0 40.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 50' ' ' ASP . 12.1 mt -68.54 -30.26 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.77 -50.04 26.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -60.73 -44.2 96.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -63.92 -31.48 72.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -69.55 -32.32 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 54' ' ' LEU . 21.8 mt -84.33 -21.71 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.04 22.24 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 53.51 29.9 9.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -89.35 -31.16 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 53' ' ' ILE . 17.5 pt -139.01 127.41 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -111.33 13.42 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -109.51 109.43 20.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.7 tp -133.23 140.6 37.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.05 171.33 67.2 Favored 'Cis proline' 0 C--N 1.347 0.488 0 C-N-CA 123.338 -1.526 . . . . 0.0 112.409 0.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.95 130.03 40.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 69.1 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.922 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.865 0.364 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -97.15 158.86 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 94.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -115.31 154.26 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.692 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 115.33 -27.29 8.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.55 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.94 83.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.0 m -81.72 -33.05 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.65 -8.97 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 61.31 51.17 4.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -112.66 -16.86 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.28 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.92 25.24 17.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 130.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.739 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.22 99.37 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -112.79 -177.04 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -30.34 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -64.17 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' OD1' HG22 ' A' ' 8' ' ' VAL . 8.8 m-20 -66.41 -30.62 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -72.65 -52.42 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.4 p -60.39 -40.58 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 tp -70.53 -31.11 68.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.38 -44.35 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -60.03 -46.9 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.45 -50.51 73.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.0 t -65.4 -25.41 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.238 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.8 tt -88.59 9.09 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.434 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 59.23 48.31 10.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -35.05 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.22 33.01 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -112.02 130.33 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -77.48 133.02 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.5 pt -148.5 176.58 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.79 103.83 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p -75.16 -30.73 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -43.24 96.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.565 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.96 -38.1 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.52 -42.87 88.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.84 97.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.741 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 54' ' ' LEU . 76.1 mt -88.06 -22.75 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.298 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -104.23 -7.38 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.452 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.32 39.71 15.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.45 -16.53 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 10.99 57.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.937 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -167.2 144.13 4.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.586 HG12 HG22 ' A' ' 26' ' ' VAL . 20.3 t -83.1 97.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.41 -178.22 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -58.83 -29.26 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -58.56 -50.32 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.716 ' HA ' HD12 ' A' ' 53' ' ' ILE . 44.6 m-20 -59.36 -40.85 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 23' ' ' LYS . 7.9 tt -60.53 -35.13 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.66 -31.49 58.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.333 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 50' ' ' ASP . 11.9 mt -75.11 -31.24 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.15 -49.19 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -48.61 80.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.82 -48.05 83.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.72 -19.96 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.384 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.38 15.04 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.384 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 55.43 29.05 12.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -90.78 -39.98 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 pt -122.93 126.37 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.75 13.42 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 m -104.76 106.39 16.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.812 0.339 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.4 tp -134.11 138.99 31.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.3 Cg_endo -75.93 163.49 90.04 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.518 0.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 69' ' ' ASN . 49.9 t80 -70.79 100.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -99.29 84.56 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 9.4 t30 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.791 0.329 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t -108.36 170.87 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 82.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.44 124.56 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 66' ' ' PRO . 80.5 m-85 -59.13 101.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.7 -27.47 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.53 83.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 38' ' ' ALA . 29.1 m -80.98 -28.43 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -89.18 8.86 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.394 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.5 53.04 5.9 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.83 0.348 . . . . 0.0 111.588 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -105.49 -16.81 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.232 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.14 24.69 21.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -167.24 138.71 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.24 99.48 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -110.72 170.42 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 p -61.15 -31.48 71.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -59.61 -30.6 68.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.74 -41.15 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.59 -54.09 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.75 -40.48 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.36 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD22 HD12 ' A' ' 54' ' ' LEU . 20.6 tp -65.21 -36.17 83.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -41.7 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -66.03 -31.98 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' HD13 ' A' ' 33' ' ' ILE . 61.8 t80 -64.93 -44.93 87.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.98 -29.61 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.41 -9.95 59.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.361 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.38 55.6 1.38 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 p -101.27 18.52 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.39 29.58 75.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.59 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.0 tt -88.7 125.58 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 117.88 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' TYR . 32.5 pt -139.89 -177.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -92.08 104.44 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -75.54 -31.02 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -81.1 -35.11 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -39.63 78.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.53 100.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.82 -28.81 24.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -98.21 -11.27 22.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 61.01 40.03 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -77.43 -16.56 58.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 6.55 35.65 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.095 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -167.33 146.01 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.8 t -83.04 96.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -111.48 -178.85 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.3 t -60.53 -29.34 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -51.36 70.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.78 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.1 -41.06 82.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.709 ' O ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -59.19 -34.43 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.17 -35.39 49.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.366 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -70.89 -37.35 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.664 HD12 HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -61.78 -44.6 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.12 -35.56 80.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -43.61 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.611 ' CD1' HD22 ' A' ' 65' ' ' LEU . 71.9 t80 -63.33 -37.38 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 20.1 mt -76.84 -18.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.348 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.59 19.85 9.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.242 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 tttt 55.51 30.89 15.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.74 -41.33 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.11 130.73 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 -27.79 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.1 m -78.46 113.98 16.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 64' ' ' THR . 2.0 mp -136.99 152.65 74.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.761 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 5' ' ' TYR . 73.5 Cg_endo -77.31 171.21 68.8 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.366 -1.514 . . . . 0.0 112.485 0.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -79.53 127.45 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.93 69.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.93 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p -142.79 155.9 44.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 82.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.525 HD23 HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -105.53 127.18 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -58.8 107.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 40' ' ' LEU . . . 116.39 -27.42 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.501 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.25 82.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' OD2' ' A' ' 18' ' ' ASP . 16.9 m -80.92 -29.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -82.52 -8.96 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.76 55.28 3.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -110.66 -16.75 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.57 16.55 24.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.654 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -167.18 160.82 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.585 HG21 ' HE2' ' A' ' 57' ' ' TYR . 22.6 t -96.53 101.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -109.34 170.74 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -59.31 -29.88 67.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 20' ' ' VAL . 88.3 m -57.94 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' OD2' HG22 ' A' ' 8' ' ' VAL . 9.5 m-20 -66.95 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -65.42 -46.66 79.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 17' ' ' THR . 11.0 p -70.4 -33.93 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -39.98 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 HD22 ' A' ' 51' ' ' LEU . 16.6 tp -71.24 -33.73 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.62 -47.29 76.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -62.2 -30.51 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -68.46 -53.74 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -56.95 -30.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 27' ' ' LEU . 7.4 tt -76.53 -9.44 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.297 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 63.75 54.84 1.75 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.941 0.4 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.1 p -97.49 18.92 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.33 37.9 94.42 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -100.53 145.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -103.53 133.39 48.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 pt -152.73 -177.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -90.18 104.54 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -75.82 -28.67 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -43.37 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.576 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -88.45 -30.33 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.88 73.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -60.71 98.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HB ' ' A' ' 53' ' ' ILE . 24.6 mt -87.19 -29.39 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -95.56 -11.31 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.432 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 60.78 37.49 18.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.42 -12.58 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.251 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.6 -13.66 42.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.926 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -154.13 152.71 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.35 97.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -111.41 -177.0 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -55.01 -29.23 56.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -59.64 -48.19 82.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 53' ' ' ILE . 20.2 m-20 -58.24 -45.8 87.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.25 70.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.36 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.3 mt -77.79 -33.53 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.975 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -76.47 -36.46 57.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.781 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -53.77 42.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -63.94 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HE2' HG21 ' A' ' 14' ' ' VAL . 72.6 t80 -60.14 -49.8 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.48 HG12 HG12 ' A' ' 14' ' ' VAL . 15.1 mt -71.67 -18.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 16.31 11.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 30.09 16.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.29 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 53' ' ' ILE . 20.0 pt -117.98 130.3 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.63 13.4 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 7.7 m -108.51 106.37 16.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.821 0.343 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' THR . 4.4 mp -134.11 157.49 77.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.11 163.71 90.02 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.239 -1.567 . . . . 0.0 112.435 0.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 64.9 t80 -70.88 142.11 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 69.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -89.13 164.09 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.97 83.21 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 145.29 35.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.36 100.3 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.47 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 124.14 -28.2 5.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.17 81.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.5 m -82.86 -30.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.4 -8.29 59.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 63.13 55.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.951 0.405 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -114.24 -16.74 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.02 20.12 24.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.574 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -167.22 143.87 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.1 99.43 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -112.81 -177.49 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -59.61 -31.12 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -59.17 -31.32 68.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' VAL . 19.7 m-20 -68.42 -31.33 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.17 -43.18 68.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.96 -33.09 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -42.32 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.738 ' O ' HG23 ' A' ' 26' ' ' VAL . 17.8 tp -67.45 -31.12 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -70.69 -38.61 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -63.37 -34.88 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.44 -47.9 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.1 t -60.83 -21.32 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -89.15 9.93 23.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.399 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 57.66 34.82 24.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.988 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -71.38 -31.15 66.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.11 28.5 6.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 tt -91.62 150.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -99.65 123.5 43.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 pt -138.8 -177.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.82 105.27 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -72.39 -29.92 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -43.26 96.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.616 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -80.2 -37.42 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.76 -45.62 85.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -59.22 98.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 54' ' ' LEU . 65.5 mt -87.65 -24.02 24.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -102.28 -6.93 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 60.72 38.19 18.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -77.43 -16.41 58.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.79 16.18 52.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.831 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.68 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.703 0.287 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 22' ' ' LEU . 28.7 t -85.63 97.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.65 -177.39 3.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -58.15 -29.14 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 53' ' ' ILE . 11.1 m-20 -58.21 -43.2 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.6 tt -58.84 -38.31 78.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.399 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.82 -30.61 70.3 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.969 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 50' ' ' ASP . 24.3 mt -79.24 -28.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.811 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -70.19 -52.26 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -61.96 -42.74 99.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -58.88 -32.92 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 62' ' ' ILE . 52.8 t80 -72.42 -34.55 67.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 19' ' ' ALA . 38.4 mt -84.02 -23.05 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.261 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.84 19.11 9.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 55.08 30.87 15.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.68 -32.74 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -134.83 126.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.68 13.41 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.2 m -118.94 106.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.05 152.52 70.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.47 162.35 92.03 Favored 'Cis proline' 0 C--N 1.347 0.464 0 C-N-CA 123.315 -1.535 . . . . 0.0 112.417 0.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 76.9 t80 -70.87 109.14 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.63 90.26 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p -141.09 167.74 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 87.14 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD2' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -115.78 128.18 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 98.3 m-85 -59.68 115.99 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.49 -28.1 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.55 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.28 86.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 38' ' ' ALA . 30.1 m -85.49 -31.93 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.7 -8.96 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.19 56.87 2.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -110.42 -16.74 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.01 17.74 24.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.688 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.27 157.48 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 4' ' ' LEU . 21.9 t -93.39 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -109.71 169.33 8.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 -30.86 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 m -58.7 -28.58 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.92 -40.23 96.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.81 -54.01 45.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.18 -34.78 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.72 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 51' ' ' LEU . 19.7 tp -69.91 -31.24 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 51' ' ' LEU . 26.5 mttm -65.34 -39.35 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -66.06 -40.82 91.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.5 -56.14 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.45 -17.1 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.18 21.81 4.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 44.56 38.17 2.53 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.456 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.07 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.15 31.59 5.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.3 tt -99.93 145.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.075 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.66 120.41 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 pt -129.74 -177.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -91.48 107.51 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.01 -29.62 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.34 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -84.34 -35.67 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.47 -38.91 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -62.68 98.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' A' ' 54' ' ' LEU . 27.0 mt -88.5 -25.24 22.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -100.73 -8.13 23.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.393 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.73 39.26 14.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -77.34 -16.61 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.39 -13.65 43.46 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.061 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.94 149.28 28.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.04 100.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -111.32 -178.44 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.6 m -56.2 -30.81 62.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.488 HG21 ' OD1' ' A' ' 69' ' ' ASN . 3.1 m -60.47 -47.8 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.68 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 53' ' ' ILE . 17.9 m-20 -57.59 -41.12 80.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 51' ' ' LEU . 6.0 tt -58.32 -39.85 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.682 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.19 -35.93 56.65 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.42 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.7 mt -66.24 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -63.97 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 58' ' ' ILE . 7.2 ttpt -67.77 -41.18 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -61.59 -43.81 98.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.95 -36.59 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -73.26 -28.37 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.266 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.25 23.79 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.211 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 52.65 28.5 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -83.3 -30.7 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 53' ' ' ILE . 10.7 pt -135.2 133.56 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.14 13.38 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.611 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.1 t -122.77 115.67 22.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.71 0.29 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 64' ' ' THR . 3.1 mp -132.31 151.37 78.2 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.824 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 71.7 Cg_endo -76.7 166.61 82.23 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 123.37 -1.512 . . . . 0.0 112.402 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.85 140.57 51.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.3 82.27 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.488 ' OD1' HG21 ' A' ' 49' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.702 0.286 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -159.09 156.87 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.44 91.73 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 5' ' ' TYR . 0.2 OUTLIER -117.05 164.96 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.454 ' H ' HD23 ' A' ' 4' ' ' LEU . 58.9 m-85 -85.6 106.3 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.27 7.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -68.81 80.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 38' ' ' ALA . 31.3 m -77.99 -35.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -78.12 -8.92 58.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 t0 60.94 54.29 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -110.15 -16.84 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.75 23.01 12.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -167.2 161.28 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -109.2 99.44 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 17' ' ' THR . 15.6 t-20 -111.83 172.7 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 p -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.79 -29.85 68.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -59.54 -45.37 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.79 -38.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.33 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.7 tp -61.31 -41.47 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -67.6 -31.4 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 33' ' ' ILE . 60.1 t80 -71.61 -39.06 70.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -66.44 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.57 -3.24 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.339 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.19 55.61 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -93.28 15.7 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.43 40.21 96.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.572 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 12.5 tt -106.93 127.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -86.03 119.08 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 25' ' ' TYR . 25.1 pt -138.72 171.69 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.4 97.92 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.3 p -64.14 -29.92 71.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -43.28 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.461 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.41 -34.57 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.733 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.63 -45.27 85.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.18 99.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 HD23 ' A' ' 54' ' ' LEU . 1.7 mt -88.52 -27.57 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -97.4 -11.27 24.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.12 37.97 20.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.38 -16.5 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.52 -13.68 42.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.36 144.41 28.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 22' ' ' LEU . 22.0 t -82.94 97.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.36 -177.54 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -55.87 -28.61 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -52.23 66.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' A' ' 53' ' ' ILE . 8.8 m-20 -56.4 -40.38 74.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -60.02 -47.39 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.23 -38.12 95.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.328 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' A' ' 50' ' ' ASP . 22.3 mt -60.09 -43.85 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.31 -47.71 81.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -63.71 -48.59 76.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.65 -33.07 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.03 -41.63 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 58' ' ' ILE . 31.3 mt -86.35 -10.52 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.579 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.86 21.22 7.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.229 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.4 28.28 7.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -93.33 -36.66 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.86 116.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -109.14 13.51 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -110.67 106.43 15.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.72 151.43 54.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.31 171.62 67.21 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.321 -1.533 . . . . 0.0 112.366 -0.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 69' ' ' ASN . 16.5 t80 -70.84 120.05 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -75.51 83.26 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 9.5 t30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -63.12 161.52 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -75.34 82.94 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 134.5 40.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -72.36 103.88 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.66 24.81 4.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.596 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.4 84.96 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.774 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 18' ' ' ASP . 19.1 m -78.86 -29.14 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.95 -9.0 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 t70 56.6 56.4 5.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -112.19 -16.76 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.9 22.18 18.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.636 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.31 136.26 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.772 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 6' ' ' GLY . 22.9 t -83.45 99.52 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -111.47 171.23 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -61.14 -30.38 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.8 m -58.83 -31.26 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 8' ' ' VAL . 3.0 m-20 -69.05 -31.37 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -64.73 -50.89 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.75 -35.8 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.18 89.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.509 ' CD2' HD22 ' A' ' 54' ' ' LEU . 29.8 tp -66.93 -33.45 75.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.79 -46.37 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -59.86 -31.58 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.0 -54.9 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.78 -25.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -81.17 0.43 36.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.74 39.74 6.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 -31.01 57.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.51 31.42 4.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.0 tt -106.72 116.6 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.088 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 130.96 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 pt -134.39 -178.95 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.79 106.81 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.519 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -72.92 -29.23 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -43.41 98.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -88.29 -32.57 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.73 -46.94 83.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -57.94 97.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 54' ' ' LEU . 92.2 mt -88.7 -25.65 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.44 -11.13 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.91 37.2 12.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -77.44 -16.58 58.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -13.68 58.36 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.885 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -142.38 141.69 32.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.02 97.17 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -110.54 -179.46 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -58.63 -31.01 67.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD11 ' A' ' 53' ' ' ILE . 24.4 m -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 53' ' ' ILE . 41.2 m-20 -60.23 -38.67 84.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 23' ' ' LYS . 58.7 tp -61.96 -35.68 79.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.49 -28.3 61.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 50' ' ' ASP . 7.3 mt -76.29 -29.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 19' ' ' ALA . 6.8 tp -69.61 -59.3 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -59.58 -43.36 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.05 -29.98 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.83 -24.38 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.25 23.54 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 54.83 39.0 31.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.93 -36.99 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 ' O ' ' A' ' 53' ' ' ILE . 25.8 pt -132.99 138.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.22 -21.83 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -78.44 124.14 27.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 tp -147.93 140.1 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 65' ' ' LEU . 72.4 Cg_endo -77.16 168.96 75.49 Favored 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.49 0.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -70.87 153.82 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -140.59 87.86 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.923 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -110.03 162.49 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.2 95.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.54 160.21 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -86.11 112.52 21.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.95 -28.85 14.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.432 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -71.05 88.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.3 m -82.38 -30.02 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.351 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -83.66 -8.91 59.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.23 52.52 4.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.93 0.395 . . . . 0.0 111.022 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -105.41 -16.82 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.65 24.54 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.569 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.34 100.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -111.6 170.69 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -30.6 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.3 m -58.44 -30.8 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.01 -32.95 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.45 -54.01 12.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.63 -39.01 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.36 93.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 51' ' ' LEU . 38.6 tp -64.48 -32.57 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.9 -44.97 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -61.52 -39.86 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -64.76 -45.4 86.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 22' ' ' LEU . 25.7 t -73.13 -20.77 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.272 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.4 tp -80.81 0.45 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.509 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 66.4 35.0 5.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.893 0.378 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -80.43 -38.58 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.37 40.27 2.1 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 24' ' ' ARG . 12.3 tt -95.35 153.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -99.95 120.15 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.4 pt -144.37 168.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.24 97.19 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.4 p -66.13 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -43.41 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.466 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -79.43 -36.18 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -59.33 98.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.6 mt -88.49 -23.74 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -102.72 -5.08 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.497 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 60.3 39.62 18.69 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -77.32 -16.64 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.5 8.33 58.57 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.017 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.29 146.85 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.59 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.98 97.14 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -111.43 -179.58 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -59.14 -30.95 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.36 -48.17 82.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.832 ' HA ' HD12 ' A' ' 53' ' ' ILE . 56.7 m-20 -58.74 -41.81 87.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.4 tp -59.6 -32.84 70.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.41 -35.28 33.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.306 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.2 mt -68.59 -32.82 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.861 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.18 -44.21 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.806 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -60.77 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.96 -48.37 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 19' ' ' ALA . 48.5 mt -68.13 -20.53 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.0 8.96 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt 60.31 30.72 20.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -93.74 -34.78 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 pt -130.01 128.44 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.17 13.49 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 65' ' ' LEU . 62.3 m -112.73 106.51 14.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 64' ' ' THR . 3.5 mp -125.3 154.75 72.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.46 161.45 93.78 Favored 'Cis proline' 0 C--N 1.345 0.373 0 C-N-CA 123.307 -1.539 . . . . 0.0 112.384 0.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 86.9 t80 -70.83 142.41 51.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.79 83.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.3 p30 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -90.92 163.06 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 98.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.15 127.25 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -65.28 113.56 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 102.61 29.19 6.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -128.62 84.65 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.1 m -80.65 -36.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.311 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.85 -8.98 58.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 t0 60.03 58.17 2.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -113.16 -16.81 12.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.279 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.25 23.83 18.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.22 144.3 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.9 t -92.3 100.21 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.672 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.7 t-20 -111.43 172.77 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.34 -31.15 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.9 -33.08 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -53.51 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.35 -35.31 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.95 96.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 46' ' ' VAL . 12.3 tp -69.21 -31.03 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.79 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -45.21 82.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -58.33 -49.68 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' LEU . 26.2 t -67.53 -17.51 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.06 20.25 6.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.406 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 57.05 30.24 17.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -71.43 -31.23 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.77 28.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.417 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.48 148.81 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 116.68 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -128.06 -178.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.79 104.29 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.616 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.7 p -69.8 -30.31 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.648 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.33 95.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.444 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.9 -38.55 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.22 -46.01 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.13 97.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD12 ' A' ' 54' ' ' LEU . 79.9 mt -87.98 -24.21 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.276 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -103.29 -5.77 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.498 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.59 39.54 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -77.38 -16.58 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.35 -13.7 43.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.032 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -155.72 151.52 27.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.03 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -110.88 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -55.87 -30.18 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.56 -44.6 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.6 m-20 -61.15 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.17 -33.27 62.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.652 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.72 -28.11 57.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.274 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 50' ' ' ASP . 16.9 mt -78.45 -44.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.08 -50.37 61.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -59.94 -47.05 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -63.34 -41.33 98.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 64.2 t80 -58.28 -42.73 87.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.33 -18.74 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.331 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.57 21.41 7.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.223 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 55.18 29.05 11.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.32 -31.91 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.98 130.39 25.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.76 -14.58 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -78.41 106.6 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD22 ' CZ ' ' A' ' 57' ' ' TYR . 10.0 tp -129.19 139.56 36.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.661 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.0 Cg_endo -76.17 173.12 59.71 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.474 -1.469 . . . . 0.0 112.481 0.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HB2' HG21 ' A' ' 53' ' ' ILE . 68.3 t80 -70.83 131.85 44.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 86.35 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 49.1 t30 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 t -74.99 156.71 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -70.22 90.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 125.66 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.16 118.16 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.737 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 98.52 28.14 8.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -125.91 79.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 22' ' ' LEU . 27.6 m -77.23 -36.15 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -78.35 -9.03 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.407 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.43 58.87 2.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -112.24 -16.79 12.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.4 21.94 23.25 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.553 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.27 137.46 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.39 99.43 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.8 171.15 7.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.9 p -59.0 -30.27 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 20' ' ' VAL . 89.6 m -59.47 -30.66 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.73 -37.15 76.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.42 69.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 17' ' ' THR . 10.3 p -59.97 -32.08 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.72 68.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.5 tp -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 7.4 tmtt? -69.88 -44.04 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -37.78 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.21 -53.54 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.23 -17.59 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.486 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' NZ ' ' A' ' 23' ' ' LYS . 16.2 tp -88.69 12.54 14.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.443 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 58.85 38.72 24.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.848 0.356 . . . . 0.0 111.014 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -80.36 -2.4 45.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.77 75.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 tt -97.33 134.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 111.059 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -91.03 118.45 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 22' ' ' LEU . 26.5 pt -125.29 176.42 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.67 107.52 18.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 81.5 p -76.68 -28.58 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.31 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -87.25 -33.67 19.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.742 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 35' ' ' THR . . . -59.06 -41.58 88.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -63.08 98.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.902 HD11 HD12 ' A' ' 54' ' ' LEU . 71.3 mt -88.65 -25.48 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.19 -9.3 22.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.399 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 62.84 36.59 12.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -77.33 -16.66 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.71 15.47 54.63 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.744 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.23 136.42 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.99 97.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 -171.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 p -60.76 -27.87 68.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.651 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.3 m -59.97 -52.23 66.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -56.75 -41.94 78.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.765 ' HA ' HD23 ' A' ' 22' ' ' LEU . 60.6 tp -56.38 -30.58 62.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.97 -32.48 32.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.397 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.425 ' HB ' HD12 ' A' ' 40' ' ' LEU . 49.1 mt -70.63 -32.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.902 HD12 HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.93 -48.98 26.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.76 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.8 ttmt -61.05 -41.56 96.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.7 -32.84 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.86 -41.01 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mt -80.74 -16.53 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.478 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 55' ' ' LYS . 3.8 mm? -94.17 20.72 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.34 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 55.4 30.86 15.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.55 -32.77 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 pt -141.08 133.82 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.56 13.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.2 m -110.04 107.02 16.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 64' ' ' THR . 3.4 mp -133.16 152.08 78.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.1 158.33 96.46 Favored 'Cis proline' 0 C--N 1.348 0.508 0 C-N-CA 123.32 -1.533 . . . . 0.0 112.428 -0.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -70.9 146.43 49.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 94.03 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.823 0.344 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 4' ' ' LEU . 7.7 t -130.97 150.18 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 89.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.562 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -110.11 159.47 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.54 115.42 19.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.12 -27.25 16.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -64.06 82.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.4 m -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -85.8 -6.7 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.387 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.58 54.64 2.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -113.01 -16.82 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.325 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.88 61.44 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.78 143.06 48.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.4 100.05 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -112.54 -173.15 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -65.67 -30.13 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -59.76 -31.31 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 8' ' ' VAL . 9.0 m-20 -69.2 -31.63 70.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -67.44 -57.22 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.43 -26.55 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.13 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 ' CG1' ' A' ' 46' ' ' VAL . 61.5 tp -65.46 -38.81 90.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -58.26 -46.57 85.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -59.96 -34.1 72.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -74.25 -53.21 10.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.524 HG22 HG12 ' A' ' 46' ' ' VAL . 22.0 t -64.14 -23.9 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.17 9.35 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 57.59 44.19 21.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -80.73 -30.83 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.67 40.23 2.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 tt -110.17 146.01 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t -98.65 116.41 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 pt -138.02 -178.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -90.18 99.44 12.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.737 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.9 p -69.4 -30.99 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.633 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -80.11 -33.29 38.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.14 -39.17 74.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -60.05 98.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' A' ' 54' ' ' LEU . 75.1 mt -88.46 -18.6 27.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.396 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -109.74 -6.7 15.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.526 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 61.24 37.99 16.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -77.29 -16.72 58.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.184 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.24 -13.7 48.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 147.81 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.63 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.14 97.22 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -111.25 -177.82 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -55.85 -29.15 59.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.587 HG22 HD11 ' A' ' 53' ' ' ILE . 5.5 m -59.25 -47.87 83.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 53' ' ' ILE . 2.7 m-20 -58.97 -45.2 91.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.7 tp -58.06 -34.88 70.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.729 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.06 -32.22 53.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.261 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.7 mt -75.15 -32.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.02 -39.03 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -62.3 -49.43 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -62.4 -32.65 73.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.781 ' CE1' HD22 ' A' ' 65' ' ' LEU . 20.1 t80 -64.38 -44.95 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 27.3 mt -73.6 -28.01 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.02 -4.51 44.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.415 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? 68.61 40.65 1.82 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -108.24 -33.92 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 53' ' ' ILE . 26.4 pt -115.55 132.37 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -24.79 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.1 m -78.49 122.92 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 0.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -146.67 141.08 15.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.0 Cg_endo -77.62 167.63 78.49 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.41 -1.496 . . . . 0.0 112.525 0.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 69' ' ' ASN . 80.4 t80 -81.94 98.05 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.35 81.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 4.3 t-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.83 0.348 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 4' ' ' LEU . 8.8 t -81.85 161.66 23.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.07 98.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.939 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -117.81 150.97 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -88.1 100.65 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.437 ' O ' HD21 ' A' ' 54' ' ' LEU . . . 122.03 -28.21 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.387 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -64.34 84.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.7 m -79.81 -34.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.95 -8.93 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.329 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 59.52 56.22 3.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -112.88 -16.87 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.38 20.78 24.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.554 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -167.23 135.84 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -84.96 99.37 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -112.92 -177.83 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -60.91 -30.61 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -61.91 -29.72 70.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 8' ' ' VAL . 9.8 m-20 -63.48 -30.46 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.77 -54.35 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.6 p -59.11 -41.25 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.38 -52.99 63.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 54' ' ' LEU . 34.3 tp -61.43 -34.57 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -48.6 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -57.05 -33.26 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -70.7 -60.53 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 22' ' ' LEU . 15.2 t -58.14 -23.56 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 4.39 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.553 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 61.39 38.29 16.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.318 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -74.52 -31.24 62.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.09 29.74 5.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 tt -106.21 158.1 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 127.66 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.7 pt -131.46 -179.37 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.06 105.7 17.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -73.92 -30.89 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.512 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -84.19 -37.57 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.783 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.27 -39.74 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.37 98.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD11 ' HG ' ' A' ' 54' ' ' LEU . 36.5 mt -88.72 -22.08 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -101.78 -9.98 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.71 38.95 18.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.862 0.363 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.29 -16.57 58.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.8 10.18 50.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.048 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.25 139.92 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.13 97.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.95 -178.21 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -29.08 62.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -48.49 81.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.01 -43.66 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.6 tp -58.88 -33.91 71.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.16 -29.03 57.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.218 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.2 mt -80.19 -33.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.717 0.294 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.11 -43.93 73.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -64.28 -46.36 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -62.46 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.35 -37.91 80.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 14' ' ' VAL . 20.7 mt -83.34 -18.9 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 19.27 9.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.13 31.89 17.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -94.01 -34.49 13.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.55 121.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.72 13.51 21.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 65' ' ' LEU . 30.5 m -111.55 106.44 15.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 64' ' ' THR . 3.3 mp -128.81 155.12 79.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.4 Cg_endo -75.78 166.48 82.88 Favored 'Cis proline' 0 C--N 1.346 0.445 0 C-N-CA 123.261 -1.558 . . . . 0.0 112.442 -0.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -70.9 138.51 50.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.25 88.83 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.741 0.305 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -61.74 165.92 4.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -68.15 89.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.788 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.73 115.07 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.614 ' HB3' HD23 ' A' ' 65' ' ' LEU . 49.7 m-85 -61.05 102.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.25 25.71 4.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.468 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -128.64 86.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 38' ' ' ALA . 12.6 m -82.05 -28.8 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -87.15 5.86 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 43.84 56.64 4.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 111.417 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -105.79 -16.73 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.69 25.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.677 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -167.25 148.21 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 HG12 ' A' ' 58' ' ' ILE . 21.4 t -91.11 99.55 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.636 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -29.66 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.4 t -59.31 -30.52 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.43 -35.49 79.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -53.08 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.8 p -63.91 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 51' ' ' LEU . 22.7 tp -67.51 -31.76 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG3' HD21 ' A' ' 51' ' ' LEU . 2.5 ttpp -63.92 -45.08 90.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -59.95 -39.05 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.18 -37.05 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 12.8 t -76.57 -20.06 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -94.03 21.51 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 55.21 30.48 14.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.1 p -62.78 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 29.18 19.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -96.49 120.39 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -72.62 115.4 11.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 pt -126.27 178.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.15 102.29 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -67.97 -31.26 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -43.41 98.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.399 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -81.82 -37.98 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.43 -52.75 64.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -59.26 98.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.5 mt -88.64 -24.21 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.306 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -100.56 -11.35 20.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.476 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 59.37 39.47 22.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -77.26 -16.61 58.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 4.65 37.34 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.987 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 143.84 4.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -82.98 97.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -110.99 -178.09 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 p -57.02 -28.84 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -50.38 74.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.2 -43.82 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 22' ' ' LEU . 42.9 tp -57.97 -33.94 69.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.26 -34.28 51.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.213 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' O ' HD11 ' A' ' 62' ' ' ILE . 49.5 mt -72.16 -33.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.494 HD23 HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -72.73 -49.61 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 59' ' ' LEU . 23.0 ttmt -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -36.07 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.3 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.556 HG12 HG12 ' A' ' 14' ' ' VAL . 32.9 mt -84.24 -19.63 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.373 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 55' ' ' LYS . 7.8 mp -95.29 22.57 6.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt 54.36 30.18 12.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.53 -31.14 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 53' ' ' ILE . 3.6 pt -148.74 131.27 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -120.78 13.45 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 65' ' ' LEU . 63.8 m -105.51 106.35 16.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 64' ' ' THR . 4.1 mp -135.8 154.14 77.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.95 158.48 97.87 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.394 0.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 69' ' ' ASN . 57.6 t80 -70.83 119.14 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.73 69.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 3.7 m-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.812 0.339 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 1' ' ' SER . 0.8 OUTLIER -161.76 132.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 85.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -121.43 127.04 50.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.44 ' N ' HD23 ' A' ' 4' ' ' LEU . 14.8 m-85 -60.01 101.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.94 13.4 7.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.76 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -105.18 72.54 1.0 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.953 0.406 . . . . 0.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.915 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -72.36 -30.43 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.243 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.47 -8.96 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t70 58.11 59.46 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -122.23 -0.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.15 25.98 65.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -167.2 130.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.78 99.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -112.72 -176.3 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m -59.09 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 20' ' ' VAL . 17.6 m -58.9 -37.24 76.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -62.95 -32.68 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.97 -54.05 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 21' ' ' ALA . 11.1 p -60.55 -41.82 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -62.58 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 8' ' ' VAL . 16.3 tp -62.02 -36.35 81.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.83 -41.18 97.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HB2' HG21 ' A' ' 31' ' ' ILE . 8.6 mmt85 -59.98 -38.0 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.26 -51.31 46.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -62.0 -23.14 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.79 10.84 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.67 30.63 20.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.3 31.84 5.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 24' ' ' ARG . 19.0 tt -102.91 147.07 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.55 131.87 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.7 pt -142.11 -178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.3 m-80 -91.31 103.98 16.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.652 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -74.4 -30.58 62.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -43.28 99.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.661 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -87.93 -29.29 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.278 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -58.34 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 53' ' ' ILE . 1.4 mt -86.9 -28.78 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -96.82 -5.85 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.56 37.52 19.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -77.4 -16.47 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.38 -13.72 43.49 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.18 150.21 29.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.339 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.92 97.27 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.987 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -109.91 -177.33 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -54.59 -29.22 50.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -45.07 93.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 53' ' ' ILE . 4.6 m-20 -60.73 -43.02 98.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.627 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.66 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.9 tp -58.01 -36.43 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.14 -29.18 62.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.336 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.7 mt -78.59 -35.11 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.626 ' CD1' HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -65.11 -37.06 86.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -77.69 -49.1 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -61.47 -34.71 75.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE1' HD22 ' A' ' 65' ' ' LEU . 36.9 t80 -64.85 -50.3 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' A' ' 54' ' ' LEU . 29.2 mt -68.66 -20.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.87 11.79 19.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.435 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt 56.49 29.96 16.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.755 0.312 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -92.37 -31.63 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.6 pt -130.29 118.35 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -107.82 13.38 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.14 106.39 16.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 110.731 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 65' ' ' LEU . 1.3 tp -128.56 143.02 46.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 74.1 Cg_endo -77.07 165.21 85.42 Favored 'Cis proline' 0 C--N 1.346 0.414 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.287 0.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -70.79 102.78 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -114.31 69.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.784 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -78.49 171.81 14.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 85.75 7.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -108.44 114.82 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.81 103.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 126.79 -25.74 5.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -67.37 74.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.852 HG11 HD13 ' A' ' 22' ' ' LEU . 8.8 m -73.28 -30.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -85.38 -8.86 58.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.507 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.58 52.59 3.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.379 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -108.23 -16.83 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.91 55.29 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -136.65 146.33 45.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 HD23 ' A' ' 4' ' ' LEU . 21.3 t -93.19 99.45 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -111.98 172.78 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m -58.99 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 15' ' ' ASN . 9.0 t -58.79 -31.2 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 8' ' ' VAL . 4.0 m-20 -65.43 -32.66 74.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -52.49 29.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 17' ' ' THR . 10.8 p -59.75 -32.12 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.53 71.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.852 HD13 HG11 ' A' ' 8' ' ' VAL . 9.9 tp -72.56 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -57.74 -34.01 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -70.8 -36.02 72.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -69.95 -44.83 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.2 -22.43 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.65 14.9 13.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 56.12 36.8 28.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -67.17 -30.63 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.96 34.49 5.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.577 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.4 tt -114.31 117.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 m -72.03 121.31 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CD1' HD12 ' A' ' 22' ' ' LEU . 34.9 pt -127.43 179.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.77 106.92 18.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.626 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -78.81 -30.48 45.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.29 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -85.83 -31.62 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.851 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.15 -39.79 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.6 98.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.824 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -84.44 -26.68 28.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -103.23 -2.11 27.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.612 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.58 35.72 19.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -79.22 -16.64 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.68 16.3 39.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.726 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 162.5 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 22' ' ' LEU . 21.5 t -112.99 97.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.53 -169.08 1.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -60.7 -27.85 68.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.572 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.791 HG22 HD11 ' A' ' 53' ' ' ILE . 94.1 m -60.58 -49.0 79.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.729 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.31 -41.6 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 22' ' ' LEU . 8.2 tp -56.57 -32.86 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 -35.81 20.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.791 HD11 HG22 ' A' ' 49' ' ' THR . 11.4 mt -66.88 -39.7 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD13 HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -70.61 -37.85 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -40.69 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -67.85 -35.16 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CE1' HD22 ' A' ' 65' ' ' LEU . 38.3 t80 -66.96 -37.28 83.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.0 mt -83.45 -20.49 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.397 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.06 19.75 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.326 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.9 33.22 19.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -96.19 -32.16 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 53' ' ' ILE . 24.0 pt -141.08 131.88 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.46 -19.41 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 65' ' ' LEU . 91.3 m -78.43 119.54 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.692 HD21 HD11 ' A' ' 40' ' ' LEU . 2.1 mp -138.02 151.07 69.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.696 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.91 170.08 72.69 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.301 -1.541 . . . . 0.0 112.417 0.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.85 106.65 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 76.95 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 4' ' ' LEU . 3.7 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.06 HD12 HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -99.34 125.92 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.674 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.2 m-85 -60.51 92.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.12 -28.45 3.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.411 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -73.48 92.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -86.29 -32.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -77.67 -9.06 58.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.421 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 58.5 57.73 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.03 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -112.36 -16.79 12.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.26 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.08 20.43 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.556 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -167.3 147.28 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.5 99.84 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -109.05 171.26 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -60.61 -31.38 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 m -59.59 -30.94 69.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.24 -31.75 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HA ' HD22 ' A' ' 54' ' ' LEU . . . -68.1 -58.06 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.02 -35.07 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -46.6 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.702 HD22 HD13 ' A' ' 54' ' ' LEU . 17.4 tp -62.07 -37.99 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.72 -32.42 70.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -69.5 -41.97 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -66.93 -45.5 77.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 22' ' ' LEU . 32.8 t -59.35 -31.85 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -76.38 -6.36 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 mtt85 62.56 43.58 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.946 0.403 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -24.15 30.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.6 40.24 2.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.8 tt -102.52 130.27 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 t -81.47 120.5 25.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 pt -141.6 179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.4 86.05 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -56.24 -30.93 63.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -80.4 -31.17 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.92 89.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -59.19 98.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mt -88.64 -26.72 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.51 -10.17 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.423 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 39.34 6.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -77.35 -16.62 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.57 -13.77 42.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.99 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -149.04 147.58 28.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.96 97.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -111.43 -178.12 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.987 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -29.25 59.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.489 HG22 HD11 ' A' ' 53' ' ' ILE . 3.6 m -58.88 -50.3 74.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.747 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.2 m-20 -57.97 -40.46 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.3 tm? -58.0 -52.15 66.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.64 -40.12 94.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.389 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.8 mt -64.59 -42.36 94.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 0.0 110.932 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 22' ' ' LEU . 3.5 tt -63.58 -42.6 98.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -68.47 -44.05 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -62.92 -36.01 81.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CE1' HD22 ' A' ' 65' ' ' LEU . 72.6 t80 -59.57 -42.9 93.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -79.45 -16.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.406 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.63 19.62 8.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.219 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.6 mttp 55.89 39.67 30.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.28 -33.65 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.406 ' CD1' HG23 ' A' ' 53' ' ' ILE . 18.0 pt -140.43 127.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.51 -26.09 9.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 65' ' ' LEU . 26.7 m -78.41 115.24 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -137.48 151.96 72.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE2' ' A' ' 5' ' ' TYR . 77.4 Cg_endo -77.67 167.42 78.95 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.341 -1.524 . . . . 0.0 112.433 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.5 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.811 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 84.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.49 117.13 33.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -61.53 107.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 109.19 27.71 4.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -131.6 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.1 m -84.63 -29.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.75 -8.88 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 60.1 57.12 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -113.17 -16.72 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.92 19.41 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.624 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.91 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.55 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.09 171.26 7.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -58.71 -30.49 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -58.97 -31.4 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -65.56 -35.61 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.79 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.16 -34.11 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.79 85.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 26' ' ' VAL . 50.4 tp -64.38 -43.18 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 51' ' ' LEU . 15.3 ttmm -60.23 -43.8 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -60.39 -33.26 72.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD13 ' A' ' 33' ' ' ILE . 85.5 t80 -75.3 -43.03 53.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 22' ' ' LEU . 17.5 t -59.23 -30.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 tp -84.9 -11.54 55.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 61.7 55.69 2.64 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 32.49 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.5 40.16 96.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -109.62 129.48 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.44 124.79 40.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 25' ' ' TYR . 27.4 pt -146.0 -177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.262 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -92.25 105.78 17.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.56 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -74.99 -30.02 61.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.11 -43.32 95.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.451 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -81.33 -36.26 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.0 -48.25 80.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -59.46 97.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.577 HD11 HD22 ' A' ' 54' ' ' LEU . 65.6 mt -88.69 -23.41 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -102.55 -10.14 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.472 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 61.31 38.58 16.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 p30 -77.28 -16.76 58.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.15 -13.66 44.47 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -153.28 151.14 29.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 26' ' ' VAL . 21.2 t -82.99 97.34 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.967 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -108.24 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.978 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -56.16 -29.79 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -59.76 -47.77 84.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 53' ' ' ILE . 9.0 m-20 -58.28 -43.2 87.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.8 tt -57.71 -34.08 69.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.45 -33.72 42.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.146 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 50' ' ' ASP . 14.6 mt -70.64 -36.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.577 HD22 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.66 -44.21 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -38.56 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -63.08 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.792 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -64.28 -39.58 94.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mt -76.78 -24.2 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 6.86 29.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.413 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.93 32.69 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -95.36 -32.04 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 53' ' ' ILE . 18.0 pt -127.68 127.02 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.44 -29.35 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.8 m -82.01 120.33 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.018 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 64' ' ' THR . 2.5 mp -137.8 154.58 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.7 Cg_endo -75.17 169.42 74.6 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.255 -1.56 . . . . 0.0 112.545 0.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.7 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.996 -179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 4' ' ' LEU . 2.6 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 102.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -122.14 118.69 29.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.604 ' HB3' HD23 ' A' ' 65' ' ' LEU . 6.4 m-85 -57.41 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 112.35 40.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.433 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -132.1 77.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 22' ' ' LEU . 28.9 m -73.53 -37.53 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.343 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -77.69 -8.98 58.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.398 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 58.99 56.0 4.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.887 0.375 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -110.03 -16.75 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.22 23.13 20.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.567 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -167.25 135.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.6 t -85.03 99.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -112.77 171.35 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.17 -30.83 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 20' ' ' VAL . 90.2 m -59.31 -30.64 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.17 -36.24 81.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.776 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.6 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 17' ' ' THR . 10.2 p -69.38 -31.05 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' A' ' 8' ' ' VAL . . . -69.79 -43.26 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 54' ' ' LEU . 55.7 tp -68.11 -34.24 76.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -62.21 -48.58 79.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -59.02 -36.35 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.47 -48.36 75.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 22' ' ' LEU . 23.4 t -65.55 -21.65 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.56 14.15 15.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.387 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 56.18 39.22 30.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.701 0.286 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -70.58 -34.99 72.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.31 39.39 2.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -117.71 126.73 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 m -72.73 143.49 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.8 pt -150.28 -177.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.21 106.24 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -73.82 -30.91 62.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -43.26 98.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -87.18 -34.82 18.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -59.11 -39.37 82.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -66.31 97.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.7 mt -88.68 -24.19 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -101.47 -8.77 21.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.42 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 60.92 39.41 16.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.807 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -77.42 -16.52 58.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.78 43.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -154.58 152.61 30.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -111.43 -177.46 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.009 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -28.9 49.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -48.36 81.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -59.59 -37.88 79.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.687 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.29 -36.14 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.5 14.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.15 -43.1 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 22' ' ' LEU . 33.2 tp -61.79 -47.87 83.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -63.81 -41.99 97.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.89 -40.46 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.56 -43.26 90.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 mt -75.52 -17.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -92.52 16.87 11.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.97 37.17 28.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.74 -40.1 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 pt -131.98 131.42 61.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.07 -22.69 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.677 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.0 t -78.45 123.76 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -136.99 155.13 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.5 Cg_endo -76.64 168.82 76.1 Favored 'Cis proline' 0 C--N 1.346 0.437 0 C-N-CA 123.344 -1.523 . . . . 0.0 112.404 0.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -62.3 87.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 118.72 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 40' ' ' LEU . 51.1 m-85 -56.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.23 -25.38 4.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.597 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.0 91.58 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.0 m -86.25 -30.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -86.99 -8.98 56.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 62.08 54.5 2.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -103.6 -16.74 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.88 17.43 23.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 161.45 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -103.52 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -112.0 -170.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -73.38 -30.48 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 m -58.06 -30.38 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.89 -31.24 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -51.04 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.58 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.66 79.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.4 tp -70.49 -32.01 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -65.61 -35.74 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -65.93 -48.75 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -57.94 -43.02 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.9 t -68.68 -19.61 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.338 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -95.87 25.02 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.13 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.33 30.01 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -67.81 -33.27 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.43 39.96 9.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -100.99 134.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 t -74.09 123.96 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 pt -146.8 175.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 101.2 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.528 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.1 p -67.98 -30.72 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -43.24 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.352 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -79.92 -38.04 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.816 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -46.08 85.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -64.67 103.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mm? -85.56 -32.97 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -94.22 -11.32 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.476 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 59.54 40.85 19.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -77.33 -12.37 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.53 4.29 37.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.052 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -167.24 148.05 5.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.565 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -111.34 -178.67 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -29.66 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -58.38 -50.56 73.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.778 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.95 -42.21 89.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.9 tt -60.58 -43.29 97.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.36 -28.88 74.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.234 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.1 mt -77.06 -36.18 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.831 HD23 HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -64.79 -37.59 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.763 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -65.22 -48.62 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.26 -38.47 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' CE1' HD22 ' A' ' 65' ' ' LEU . 48.4 t80 -62.6 -44.31 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.831 HD11 HD23 ' A' ' 54' ' ' LEU . 15.2 mt -72.88 -21.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mp -93.06 16.74 12.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.78 20.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.59 -45.25 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 57' ' ' TYR . 24.9 pt -113.48 135.42 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.92 -29.03 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.4 m -79.14 122.25 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.072 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 64' ' ' THR . 1.2 mp -140.53 148.99 55.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.5 Cg_endo -76.31 176.61 43.08 Favored 'Cis proline' 0 C--N 1.345 0.391 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.392 0.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.1 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.771 0.319 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.0 88.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -110.19 124.16 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.73 105.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.85 32.18 2.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -133.16 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.6 m -86.23 -33.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -77.65 -8.95 58.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.74 58.57 2.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -112.65 -16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.65 22.24 16.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -167.26 156.97 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.8 99.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -110.62 172.49 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -62.67 -32.33 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.3 m -59.96 -29.63 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.21 -31.1 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.42 21.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.3 p -59.5 -40.91 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.16 -38.73 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.9 tp -70.31 -37.03 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -59.98 -45.82 91.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -60.35 -39.04 85.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -60.26 -50.61 72.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -61.8 -18.96 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -84.59 6.2 24.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.491 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.34 34.62 10.41 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -31.33 63.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.66 31.0 7.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 tt -90.8 145.23 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -91.46 115.75 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.2 pt -132.96 -177.67 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -95.8 104.56 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -73.61 -31.27 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.12 -34.35 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.87 -42.13 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -64.42 98.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' HB ' ' A' ' 53' ' ' ILE . 37.6 mt -87.27 -27.6 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -97.95 -11.37 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.86 38.79 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -77.3 -16.6 58.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.84 9.95 41.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.915 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.17 143.18 4.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.1 97.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -110.27 179.1 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -58.94 -29.65 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.761 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 53' ' ' ILE . 86.5 m -59.88 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.824 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.3 m-20 -59.17 -41.45 88.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.1 tp -60.88 -32.38 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.69 -34.0 40.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 50' ' ' ASP . 12.1 mt -68.54 -30.26 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.77 -50.04 26.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -60.73 -44.2 96.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -63.92 -31.48 72.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -69.55 -32.32 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 54' ' ' LEU . 21.8 mt -84.33 -21.71 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.04 22.24 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 53.51 29.9 9.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -89.35 -31.16 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 53' ' ' ILE . 17.5 pt -139.01 127.41 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -111.33 13.42 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -109.51 109.43 20.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.7 tp -133.23 140.6 37.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.05 171.33 67.2 Favored 'Cis proline' 0 C--N 1.347 0.488 0 C-N-CA 123.338 -1.526 . . . . 0.0 112.409 0.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.7 t80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 94.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -115.31 154.26 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.692 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 115.33 -27.29 8.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.55 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.94 83.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.0 m -81.72 -33.05 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.65 -8.97 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 61.31 51.17 4.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -112.66 -16.86 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.28 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.92 25.24 17.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 130.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.739 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.22 99.37 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -112.79 -177.04 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -30.34 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -64.17 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' OD1' HG22 ' A' ' 8' ' ' VAL . 8.8 m-20 -66.41 -30.62 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -72.65 -52.42 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.4 p -60.39 -40.58 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 tp -70.53 -31.11 68.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.38 -44.35 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -60.03 -46.9 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.45 -50.51 73.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.0 t -65.4 -25.41 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.238 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.8 tt -88.59 9.09 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.434 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 59.23 48.31 10.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -35.05 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.22 33.01 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -112.02 130.33 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -77.48 133.02 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.5 pt -148.5 176.58 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.79 103.83 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p -75.16 -30.73 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -43.24 96.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.565 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.96 -38.1 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.52 -42.87 88.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.84 97.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.741 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 54' ' ' LEU . 76.1 mt -88.06 -22.75 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.298 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -104.23 -7.38 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.452 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.32 39.71 15.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.45 -16.53 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 10.99 57.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.937 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -167.2 144.13 4.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.586 HG12 HG22 ' A' ' 26' ' ' VAL . 20.3 t -83.1 97.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.41 -178.22 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -58.83 -29.26 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -58.56 -50.32 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.716 ' HA ' HD12 ' A' ' 53' ' ' ILE . 44.6 m-20 -59.36 -40.85 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 23' ' ' LYS . 7.9 tt -60.53 -35.13 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.66 -31.49 58.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.333 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 50' ' ' ASP . 11.9 mt -75.11 -31.24 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.15 -49.19 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -48.61 80.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.82 -48.05 83.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.72 -19.96 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.384 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.38 15.04 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.384 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 55.43 29.05 12.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -90.78 -39.98 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 pt -122.93 126.37 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.75 13.42 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 m -104.76 106.39 16.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.812 0.339 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.4 tp -134.11 138.99 31.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.3 Cg_endo -75.93 163.49 90.04 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.518 0.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 82.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.44 124.56 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 66' ' ' PRO . 80.5 m-85 -59.13 101.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.7 -27.47 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.53 83.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 38' ' ' ALA . 29.1 m -80.98 -28.43 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -89.18 8.86 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.394 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.5 53.04 5.9 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.83 0.348 . . . . 0.0 111.588 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -105.49 -16.81 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.232 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.14 24.69 21.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -167.24 138.71 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.24 99.48 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -110.72 170.42 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 p -61.15 -31.48 71.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -59.61 -30.6 68.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.74 -41.15 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.59 -54.09 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.75 -40.48 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.36 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD22 HD12 ' A' ' 54' ' ' LEU . 20.6 tp -65.21 -36.17 83.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -41.7 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -66.03 -31.98 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' HD13 ' A' ' 33' ' ' ILE . 61.8 t80 -64.93 -44.93 87.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.98 -29.61 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.41 -9.95 59.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.361 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.38 55.6 1.38 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 p -101.27 18.52 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.39 29.58 75.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.59 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.0 tt -88.7 125.58 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 117.88 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' TYR . 32.5 pt -139.89 -177.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -92.08 104.44 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -75.54 -31.02 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -81.1 -35.11 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -39.63 78.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.53 100.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.82 -28.81 24.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -98.21 -11.27 22.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 61.01 40.03 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -77.43 -16.56 58.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 6.55 35.65 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.095 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -167.33 146.01 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.8 t -83.04 96.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -111.48 -178.85 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.3 t -60.53 -29.34 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -51.36 70.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.78 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.1 -41.06 82.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.709 ' O ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -59.19 -34.43 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.17 -35.39 49.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.366 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -70.89 -37.35 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.664 HD12 HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -61.78 -44.6 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.12 -35.56 80.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -43.61 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.611 ' CD1' HD22 ' A' ' 65' ' ' LEU . 71.9 t80 -63.33 -37.38 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 20.1 mt -76.84 -18.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.348 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.59 19.85 9.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.242 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 tttt 55.51 30.89 15.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.74 -41.33 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.11 130.73 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 -27.79 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.1 m -78.46 113.98 16.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 64' ' ' THR . 2.0 mp -136.99 152.65 74.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.761 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 5' ' ' TYR . 73.5 Cg_endo -77.31 171.21 68.8 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.366 -1.514 . . . . 0.0 112.485 0.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 82.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.525 HD23 HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -105.53 127.18 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -58.8 107.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 40' ' ' LEU . . . 116.39 -27.42 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.501 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.25 82.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' OD2' ' A' ' 18' ' ' ASP . 16.9 m -80.92 -29.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -82.52 -8.96 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.76 55.28 3.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -110.66 -16.75 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.57 16.55 24.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.654 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -167.18 160.82 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.585 HG21 ' HE2' ' A' ' 57' ' ' TYR . 22.6 t -96.53 101.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -109.34 170.74 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -59.31 -29.88 67.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 20' ' ' VAL . 88.3 m -57.94 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' OD2' HG22 ' A' ' 8' ' ' VAL . 9.5 m-20 -66.95 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -65.42 -46.66 79.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 17' ' ' THR . 11.0 p -70.4 -33.93 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -39.98 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 HD22 ' A' ' 51' ' ' LEU . 16.6 tp -71.24 -33.73 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.62 -47.29 76.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -62.2 -30.51 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -68.46 -53.74 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -56.95 -30.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 27' ' ' LEU . 7.4 tt -76.53 -9.44 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.297 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 63.75 54.84 1.75 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.941 0.4 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.1 p -97.49 18.92 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.33 37.9 94.42 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -100.53 145.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -103.53 133.39 48.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 pt -152.73 -177.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -90.18 104.54 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -75.82 -28.67 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -43.37 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.576 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -88.45 -30.33 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.88 73.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -60.71 98.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HB ' ' A' ' 53' ' ' ILE . 24.6 mt -87.19 -29.39 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -95.56 -11.31 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.432 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 60.78 37.49 18.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.42 -12.58 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.251 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.6 -13.66 42.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.926 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -154.13 152.71 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.35 97.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -111.41 -177.0 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -55.01 -29.23 56.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -59.64 -48.19 82.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 53' ' ' ILE . 20.2 m-20 -58.24 -45.8 87.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.25 70.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.36 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.3 mt -77.79 -33.53 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.975 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -76.47 -36.46 57.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.781 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -53.77 42.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -63.94 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HE2' HG21 ' A' ' 14' ' ' VAL . 72.6 t80 -60.14 -49.8 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.48 HG12 HG12 ' A' ' 14' ' ' VAL . 15.1 mt -71.67 -18.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 16.31 11.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 30.09 16.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.29 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 53' ' ' ILE . 20.0 pt -117.98 130.3 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.63 13.4 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 7.7 m -108.51 106.37 16.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.821 0.343 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' THR . 4.4 mp -134.11 157.49 77.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.11 163.71 90.02 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.239 -1.567 . . . . 0.0 112.435 0.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.9 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.97 83.21 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 145.29 35.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.36 100.3 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.47 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 124.14 -28.2 5.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.17 81.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.5 m -82.86 -30.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.4 -8.29 59.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 63.13 55.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.951 0.405 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -114.24 -16.74 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.02 20.12 24.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.574 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -167.22 143.87 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.1 99.43 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -112.81 -177.49 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -59.61 -31.12 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -59.17 -31.32 68.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' VAL . 19.7 m-20 -68.42 -31.33 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.17 -43.18 68.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.96 -33.09 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -42.32 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.738 ' O ' HG23 ' A' ' 26' ' ' VAL . 17.8 tp -67.45 -31.12 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -70.69 -38.61 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -63.37 -34.88 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.44 -47.9 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.1 t -60.83 -21.32 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -89.15 9.93 23.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.399 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 57.66 34.82 24.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.988 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -71.38 -31.15 66.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.11 28.5 6.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 tt -91.62 150.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -99.65 123.5 43.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 pt -138.8 -177.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.82 105.27 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -72.39 -29.92 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -43.26 96.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.616 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -80.2 -37.42 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.76 -45.62 85.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -59.22 98.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 54' ' ' LEU . 65.5 mt -87.65 -24.02 24.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -102.28 -6.93 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 60.72 38.19 18.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -77.43 -16.41 58.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.79 16.18 52.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.831 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.68 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.703 0.287 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 22' ' ' LEU . 28.7 t -85.63 97.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.65 -177.39 3.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -58.15 -29.14 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 53' ' ' ILE . 11.1 m-20 -58.21 -43.2 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.6 tt -58.84 -38.31 78.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.399 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.82 -30.61 70.3 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.969 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 50' ' ' ASP . 24.3 mt -79.24 -28.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.811 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -70.19 -52.26 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -61.96 -42.74 99.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -58.88 -32.92 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 62' ' ' ILE . 52.8 t80 -72.42 -34.55 67.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 19' ' ' ALA . 38.4 mt -84.02 -23.05 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.261 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.84 19.11 9.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 55.08 30.87 15.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.68 -32.74 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -134.83 126.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.68 13.41 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.2 m -118.94 106.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.05 152.52 70.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.47 162.35 92.03 Favored 'Cis proline' 0 C--N 1.347 0.464 0 C-N-CA 123.315 -1.535 . . . . 0.0 112.417 0.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.9 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.34 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 87.14 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD2' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -115.78 128.18 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 98.3 m-85 -59.68 115.99 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.49 -28.1 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.55 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.28 86.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 38' ' ' ALA . 30.1 m -85.49 -31.93 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.7 -8.96 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.19 56.87 2.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -110.42 -16.74 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.01 17.74 24.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.688 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.27 157.48 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 4' ' ' LEU . 21.9 t -93.39 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -109.71 169.33 8.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 -30.86 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 m -58.7 -28.58 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.92 -40.23 96.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.81 -54.01 45.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.18 -34.78 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.72 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 51' ' ' LEU . 19.7 tp -69.91 -31.24 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 51' ' ' LEU . 26.5 mttm -65.34 -39.35 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -66.06 -40.82 91.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.5 -56.14 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.45 -17.1 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.18 21.81 4.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 44.56 38.17 2.53 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.456 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.07 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.15 31.59 5.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.3 tt -99.93 145.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.075 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.66 120.41 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 pt -129.74 -177.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -91.48 107.51 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.01 -29.62 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.34 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -84.34 -35.67 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.47 -38.91 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -62.68 98.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' A' ' 54' ' ' LEU . 27.0 mt -88.5 -25.24 22.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -100.73 -8.13 23.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.393 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.73 39.26 14.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -77.34 -16.61 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.39 -13.65 43.46 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.061 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.94 149.28 28.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.04 100.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -111.32 -178.44 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.6 m -56.2 -30.81 62.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.445 HG22 HD11 ' A' ' 53' ' ' ILE . 3.1 m -60.47 -47.8 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.68 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 53' ' ' ILE . 17.9 m-20 -57.59 -41.12 80.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 51' ' ' LEU . 6.0 tt -58.32 -39.85 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.682 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.19 -35.93 56.65 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.42 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.7 mt -66.24 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -63.97 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 58' ' ' ILE . 7.2 ttpt -67.77 -41.18 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -61.59 -43.81 98.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.95 -36.59 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -73.26 -28.37 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.266 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.25 23.79 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.211 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 52.65 28.5 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -83.3 -30.7 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 53' ' ' ILE . 10.7 pt -135.2 133.56 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.14 13.38 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.611 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.1 t -122.77 115.67 22.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.71 0.29 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 64' ' ' THR . 3.1 mp -132.31 151.37 78.2 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.824 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 71.7 Cg_endo -76.7 166.61 82.23 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 123.37 -1.512 . . . . 0.0 112.402 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.44 91.73 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 5' ' ' TYR . 0.2 OUTLIER -117.05 164.96 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.454 ' H ' HD23 ' A' ' 4' ' ' LEU . 58.9 m-85 -85.6 106.3 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.27 7.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -68.81 80.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 38' ' ' ALA . 31.3 m -77.99 -35.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -78.12 -8.92 58.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 t0 60.94 54.29 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -110.15 -16.84 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.75 23.01 12.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -167.2 161.28 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -109.2 99.44 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 17' ' ' THR . 15.6 t-20 -111.83 172.7 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 p -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.79 -29.85 68.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -59.54 -45.37 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.79 -38.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.33 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.7 tp -61.31 -41.47 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -67.6 -31.4 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 33' ' ' ILE . 60.1 t80 -71.61 -39.06 70.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -66.44 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.57 -3.24 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.339 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.19 55.61 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -93.28 15.7 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.43 40.21 96.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.572 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 12.5 tt -106.93 127.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -86.03 119.08 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 25' ' ' TYR . 25.1 pt -138.72 171.69 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.4 97.92 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.3 p -64.14 -29.92 71.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -43.28 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.461 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.41 -34.57 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.733 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.63 -45.27 85.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.18 99.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 HD23 ' A' ' 54' ' ' LEU . 1.7 mt -88.52 -27.57 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -97.4 -11.27 24.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.12 37.97 20.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.38 -16.5 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.52 -13.68 42.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.36 144.41 28.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 22' ' ' LEU . 22.0 t -82.94 97.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.36 -177.54 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -55.87 -28.61 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -52.23 66.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' A' ' 53' ' ' ILE . 8.8 m-20 -56.4 -40.38 74.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -60.02 -47.39 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.23 -38.12 95.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.328 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' A' ' 50' ' ' ASP . 22.3 mt -60.09 -43.85 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.31 -47.71 81.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -63.71 -48.59 76.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.65 -33.07 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.03 -41.63 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 58' ' ' ILE . 31.3 mt -86.35 -10.52 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.579 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.86 21.22 7.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.229 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.4 28.28 7.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -93.33 -36.66 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.86 116.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -109.14 13.51 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -110.67 106.43 15.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.72 151.43 54.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.31 171.62 67.21 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.321 -1.533 . . . . 0.0 112.366 -0.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -75.34 82.94 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 134.5 40.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -72.36 103.88 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.66 24.81 4.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.596 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.4 84.96 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.774 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 18' ' ' ASP . 19.1 m -78.86 -29.14 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.95 -9.0 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 t70 56.6 56.4 5.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -112.19 -16.76 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.9 22.18 18.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.636 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.31 136.26 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.772 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 6' ' ' GLY . 22.9 t -83.45 99.52 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -111.47 171.23 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -61.14 -30.38 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.8 m -58.83 -31.26 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 8' ' ' VAL . 3.0 m-20 -69.05 -31.37 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -64.73 -50.89 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.75 -35.8 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.18 89.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.509 ' CD2' HD22 ' A' ' 54' ' ' LEU . 29.8 tp -66.93 -33.45 75.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.79 -46.37 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -59.86 -31.58 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.0 -54.9 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.78 -25.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -81.17 0.43 36.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.74 39.74 6.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 -31.01 57.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.51 31.42 4.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.0 tt -106.72 116.6 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.088 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 130.96 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 pt -134.39 -178.95 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.79 106.81 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.519 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -72.92 -29.23 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -43.41 98.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -88.29 -32.57 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.73 -46.94 83.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -57.94 97.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 54' ' ' LEU . 92.2 mt -88.7 -25.65 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.44 -11.13 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.91 37.2 12.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -77.44 -16.58 58.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -13.68 58.36 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.885 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -142.38 141.69 32.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.02 97.17 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -110.54 -179.46 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -58.63 -31.01 67.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD11 ' A' ' 53' ' ' ILE . 24.4 m -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 53' ' ' ILE . 41.2 m-20 -60.23 -38.67 84.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 23' ' ' LYS . 58.7 tp -61.96 -35.68 79.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.49 -28.3 61.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 50' ' ' ASP . 7.3 mt -76.29 -29.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 19' ' ' ALA . 6.8 tp -69.61 -59.3 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -59.58 -43.36 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.05 -29.98 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.83 -24.38 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.25 23.54 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 54.83 39.0 31.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.93 -36.99 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 ' O ' ' A' ' 53' ' ' ILE . 25.8 pt -132.99 138.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.22 -21.83 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -78.44 124.14 27.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 tp -147.93 140.1 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 65' ' ' LEU . 72.4 Cg_endo -77.16 168.96 75.49 Favored 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.49 0.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.945 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.2 95.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.54 160.21 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -86.11 112.52 21.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.95 -28.85 14.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.432 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -71.05 88.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.3 m -82.38 -30.02 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.351 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -83.66 -8.91 59.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.23 52.52 4.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.93 0.395 . . . . 0.0 111.022 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -105.41 -16.82 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.65 24.54 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.569 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.34 100.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -111.6 170.69 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -30.6 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.3 m -58.44 -30.8 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.01 -32.95 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.45 -54.01 12.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.63 -39.01 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.36 93.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 51' ' ' LEU . 38.6 tp -64.48 -32.57 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.9 -44.97 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -61.52 -39.86 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -64.76 -45.4 86.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 22' ' ' LEU . 25.7 t -73.13 -20.77 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.272 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.4 tp -80.81 0.45 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.509 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 66.4 35.0 5.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.893 0.378 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -80.43 -38.58 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.37 40.27 2.1 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 24' ' ' ARG . 12.3 tt -95.35 153.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -99.95 120.15 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.4 pt -144.37 168.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.24 97.19 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.4 p -66.13 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -43.41 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.466 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -79.43 -36.18 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -59.33 98.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.6 mt -88.49 -23.74 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -102.72 -5.08 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.497 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 60.3 39.62 18.69 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -77.32 -16.64 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.5 8.33 58.57 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.017 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.29 146.85 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.59 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.98 97.14 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -111.43 -179.58 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -59.14 -30.95 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.36 -48.17 82.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.832 ' HA ' HD12 ' A' ' 53' ' ' ILE . 56.7 m-20 -58.74 -41.81 87.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.4 tp -59.6 -32.84 70.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.41 -35.28 33.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.306 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.2 mt -68.59 -32.82 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.861 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.18 -44.21 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.806 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -60.77 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.96 -48.37 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 19' ' ' ALA . 48.5 mt -68.13 -20.53 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.0 8.96 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt 60.31 30.72 20.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -93.74 -34.78 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 pt -130.01 128.44 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.17 13.49 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 65' ' ' LEU . 62.3 m -112.73 106.51 14.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 64' ' ' THR . 3.5 mp -125.3 154.75 72.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.46 161.45 93.78 Favored 'Cis proline' 0 C--N 1.345 0.373 0 C-N-CA 123.307 -1.539 . . . . 0.0 112.384 0.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.764 0.316 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 98.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.15 127.25 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -65.28 113.56 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 102.61 29.19 6.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -128.62 84.65 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.1 m -80.65 -36.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.311 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.85 -8.98 58.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 t0 60.03 58.17 2.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -113.16 -16.81 12.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.279 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.25 23.83 18.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.22 144.3 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.9 t -92.3 100.21 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.672 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.7 t-20 -111.43 172.77 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.34 -31.15 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.9 -33.08 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -53.51 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.35 -35.31 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.95 96.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 46' ' ' VAL . 12.3 tp -69.21 -31.03 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.79 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -45.21 82.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -58.33 -49.68 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' LEU . 26.2 t -67.53 -17.51 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.06 20.25 6.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.406 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 57.05 30.24 17.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -71.43 -31.23 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.77 28.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.417 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.48 148.81 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 116.68 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -128.06 -178.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.79 104.29 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.616 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.7 p -69.8 -30.31 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.648 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.33 95.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.444 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.9 -38.55 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.22 -46.01 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.13 97.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD12 ' A' ' 54' ' ' LEU . 79.9 mt -87.98 -24.21 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.276 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -103.29 -5.77 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.498 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.59 39.54 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -77.38 -16.58 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.35 -13.7 43.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.032 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -155.72 151.52 27.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.03 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -110.88 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -55.87 -30.18 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.56 -44.6 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.6 m-20 -61.15 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.17 -33.27 62.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.652 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.72 -28.11 57.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.274 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 50' ' ' ASP . 16.9 mt -78.45 -44.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.08 -50.37 61.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -59.94 -47.05 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -63.34 -41.33 98.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 64.2 t80 -58.28 -42.73 87.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.33 -18.74 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.331 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.57 21.41 7.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.223 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 55.18 29.05 11.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.32 -31.91 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.98 130.39 25.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.76 -14.58 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -78.41 106.6 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD22 ' CZ ' ' A' ' 57' ' ' TYR . 10.0 tp -129.19 139.56 36.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.661 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.0 Cg_endo -76.17 173.12 59.71 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.474 -1.469 . . . . 0.0 112.481 0.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HB2' HG21 ' A' ' 53' ' ' ILE . 68.3 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -70.22 90.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 125.66 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.16 118.16 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.737 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 98.52 28.14 8.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -125.91 79.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 22' ' ' LEU . 27.6 m -77.23 -36.15 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -78.35 -9.03 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.407 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.43 58.87 2.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -112.24 -16.79 12.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.4 21.94 23.25 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.553 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.27 137.46 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.39 99.43 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.8 171.15 7.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.9 p -59.0 -30.27 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 20' ' ' VAL . 89.6 m -59.47 -30.66 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.73 -37.15 76.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.42 69.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 17' ' ' THR . 10.3 p -59.97 -32.08 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.72 68.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.5 tp -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.508 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 7.4 tmtt? -69.88 -44.04 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -37.78 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.21 -53.54 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.23 -17.59 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.486 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' NZ ' ' A' ' 23' ' ' LYS . 16.2 tp -88.69 12.54 14.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.443 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 58.85 38.72 24.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.848 0.356 . . . . 0.0 111.014 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -80.36 -2.4 45.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.77 75.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 tt -97.33 134.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 111.059 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -91.03 118.45 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 22' ' ' LEU . 26.5 pt -125.29 176.42 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.67 107.52 18.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 81.5 p -76.68 -28.58 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.31 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -87.25 -33.67 19.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.742 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 35' ' ' THR . . . -59.06 -41.58 88.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -63.08 98.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.902 HD11 HD12 ' A' ' 54' ' ' LEU . 71.3 mt -88.65 -25.48 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.19 -9.3 22.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.399 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 62.84 36.59 12.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -77.33 -16.66 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.71 15.47 54.63 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.744 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.23 136.42 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.99 97.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 -171.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 p -60.76 -27.87 68.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.651 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.3 m -59.97 -52.23 66.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -56.75 -41.94 78.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.765 ' HA ' HD23 ' A' ' 22' ' ' LEU . 60.6 tp -56.38 -30.58 62.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.97 -32.48 32.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.397 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.425 ' HB ' HD12 ' A' ' 40' ' ' LEU . 49.1 mt -70.63 -32.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.902 HD12 HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.93 -48.98 26.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.76 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.8 ttmt -61.05 -41.56 96.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.7 -32.84 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.86 -41.01 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mt -80.74 -16.53 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.478 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 55' ' ' LYS . 3.8 mm? -94.17 20.72 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.34 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 55.4 30.86 15.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.55 -32.77 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 pt -141.08 133.82 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.56 13.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.2 m -110.04 107.02 16.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 64' ' ' THR . 3.4 mp -133.16 152.08 78.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.1 158.33 96.46 Favored 'Cis proline' 0 C--N 1.348 0.508 0 C-N-CA 123.32 -1.533 . . . . 0.0 112.428 -0.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 4' ' ' LEU . 7.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 89.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.562 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -110.11 159.47 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.54 115.42 19.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.12 -27.25 16.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -64.06 82.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.4 m -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -85.8 -6.7 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.387 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.58 54.64 2.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -113.01 -16.82 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.325 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.88 61.44 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.78 143.06 48.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.4 100.05 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -112.54 -173.15 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -65.67 -30.13 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -59.76 -31.31 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 8' ' ' VAL . 9.0 m-20 -69.2 -31.63 70.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -67.44 -57.22 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.43 -26.55 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.13 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 ' CG1' ' A' ' 46' ' ' VAL . 61.5 tp -65.46 -38.81 90.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -58.26 -46.57 85.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -59.96 -34.1 72.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -74.25 -53.21 10.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.524 HG22 HG12 ' A' ' 46' ' ' VAL . 22.0 t -64.14 -23.9 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.17 9.35 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 57.59 44.19 21.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -80.73 -30.83 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.67 40.23 2.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 tt -110.17 146.01 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t -98.65 116.41 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 pt -138.02 -178.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -90.18 99.44 12.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.737 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.9 p -69.4 -30.99 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.633 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -80.11 -33.29 38.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.14 -39.17 74.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -60.05 98.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' A' ' 54' ' ' LEU . 75.1 mt -88.46 -18.6 27.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.396 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -109.74 -6.7 15.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.526 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 61.24 37.99 16.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -77.29 -16.72 58.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.184 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.24 -13.7 48.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 147.81 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.63 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.14 97.22 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -111.25 -177.82 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -55.85 -29.15 59.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.587 HG22 HD11 ' A' ' 53' ' ' ILE . 5.5 m -59.25 -47.87 83.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 53' ' ' ILE . 2.7 m-20 -58.97 -45.2 91.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.7 tp -58.06 -34.88 70.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.729 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.06 -32.22 53.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.261 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.7 mt -75.15 -32.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.02 -39.03 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -62.3 -49.43 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -62.4 -32.65 73.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.781 ' CE1' HD22 ' A' ' 65' ' ' LEU . 20.1 t80 -64.38 -44.95 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 27.3 mt -73.6 -28.01 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.02 -4.51 44.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.415 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? 68.61 40.65 1.82 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -108.24 -33.92 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 53' ' ' ILE . 26.4 pt -115.55 132.37 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -24.79 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.1 m -78.49 122.92 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 0.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -146.67 141.08 15.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.0 Cg_endo -77.62 167.63 78.49 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.41 -1.496 . . . . 0.0 112.525 0.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 4' ' ' LEU . 8.8 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.781 0.324 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.07 98.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.939 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -117.81 150.97 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -88.1 100.65 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.437 ' O ' HD21 ' A' ' 54' ' ' LEU . . . 122.03 -28.21 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.387 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -64.34 84.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.7 m -79.81 -34.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.95 -8.93 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.329 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 59.52 56.22 3.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -112.88 -16.87 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.38 20.78 24.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.554 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -167.23 135.84 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -84.96 99.37 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -112.92 -177.83 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -60.91 -30.61 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -61.91 -29.72 70.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 8' ' ' VAL . 9.8 m-20 -63.48 -30.46 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.77 -54.35 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.6 p -59.11 -41.25 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.38 -52.99 63.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 54' ' ' LEU . 34.3 tp -61.43 -34.57 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -48.6 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -57.05 -33.26 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -70.7 -60.53 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 22' ' ' LEU . 15.2 t -58.14 -23.56 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 4.39 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.553 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 61.39 38.29 16.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.318 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -74.52 -31.24 62.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.09 29.74 5.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 tt -106.21 158.1 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 127.66 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.7 pt -131.46 -179.37 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.06 105.7 17.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -73.92 -30.89 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.512 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -84.19 -37.57 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.783 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.27 -39.74 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.37 98.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD11 ' HG ' ' A' ' 54' ' ' LEU . 36.5 mt -88.72 -22.08 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -101.78 -9.98 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.71 38.95 18.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.862 0.363 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.29 -16.57 58.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.8 10.18 50.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.048 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.25 139.92 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.13 97.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.95 -178.21 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -29.08 62.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -48.49 81.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.01 -43.66 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.6 tp -58.88 -33.91 71.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.16 -29.03 57.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.218 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.2 mt -80.19 -33.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.717 0.294 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.11 -43.93 73.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -64.28 -46.36 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -62.46 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.35 -37.91 80.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 14' ' ' VAL . 20.7 mt -83.34 -18.9 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 19.27 9.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.13 31.89 17.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -94.01 -34.49 13.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.55 121.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.72 13.51 21.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 65' ' ' LEU . 30.5 m -111.55 106.44 15.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 64' ' ' THR . 3.3 mp -128.81 155.12 79.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.4 Cg_endo -75.78 166.48 82.88 Favored 'Cis proline' 0 C--N 1.346 0.445 0 C-N-CA 123.261 -1.558 . . . . 0.0 112.442 -0.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -68.15 89.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.788 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.73 115.07 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.614 ' HB3' HD23 ' A' ' 65' ' ' LEU . 49.7 m-85 -61.05 102.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.25 25.71 4.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.468 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -128.64 86.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 38' ' ' ALA . 12.6 m -82.05 -28.8 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -87.15 5.86 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 43.84 56.64 4.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 111.417 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -105.79 -16.73 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.69 25.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.677 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -167.25 148.21 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 HG12 ' A' ' 58' ' ' ILE . 21.4 t -91.11 99.55 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.636 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -29.66 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.4 t -59.31 -30.52 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.43 -35.49 79.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -53.08 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.8 p -63.91 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 51' ' ' LEU . 22.7 tp -67.51 -31.76 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG3' HD21 ' A' ' 51' ' ' LEU . 2.5 ttpp -63.92 -45.08 90.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -59.95 -39.05 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.18 -37.05 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 12.8 t -76.57 -20.06 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -94.03 21.51 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 55.21 30.48 14.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.1 p -62.78 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 29.18 19.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -96.49 120.39 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -72.62 115.4 11.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 pt -126.27 178.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.15 102.29 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -67.97 -31.26 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -43.41 98.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.399 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -81.82 -37.98 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.43 -52.75 64.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -59.26 98.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.5 mt -88.64 -24.21 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.306 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -100.56 -11.35 20.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.476 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 59.37 39.47 22.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -77.26 -16.61 58.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 4.65 37.34 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.987 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 143.84 4.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -82.98 97.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -110.99 -178.09 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 p -57.02 -28.84 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -50.38 74.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.2 -43.82 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 22' ' ' LEU . 42.9 tp -57.97 -33.94 69.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.26 -34.28 51.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.213 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' O ' HD11 ' A' ' 62' ' ' ILE . 49.5 mt -72.16 -33.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.494 HD23 HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -72.73 -49.61 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 59' ' ' LEU . 23.0 ttmt -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -36.07 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.3 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.556 HG12 HG12 ' A' ' 14' ' ' VAL . 32.9 mt -84.24 -19.63 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.373 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 55' ' ' LYS . 7.8 mp -95.29 22.57 6.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt 54.36 30.18 12.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.53 -31.14 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 53' ' ' ILE . 3.6 pt -148.74 131.27 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -120.78 13.45 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 65' ' ' LEU . 63.8 m -105.51 106.35 16.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 64' ' ' THR . 4.1 mp -135.8 154.14 77.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.95 158.48 97.87 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.394 0.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.708 0.29 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 85.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -121.43 127.04 50.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.44 ' N ' HD23 ' A' ' 4' ' ' LEU . 14.8 m-85 -60.01 101.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.94 13.4 7.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.76 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -105.18 72.54 1.0 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.953 0.406 . . . . 0.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.915 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -72.36 -30.43 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.243 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.47 -8.96 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t70 58.11 59.46 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -122.23 -0.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.15 25.98 65.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -167.2 130.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.78 99.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -112.72 -176.3 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m -59.09 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 20' ' ' VAL . 17.6 m -58.9 -37.24 76.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -62.95 -32.68 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.97 -54.05 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 21' ' ' ALA . 11.1 p -60.55 -41.82 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -62.58 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 8' ' ' VAL . 16.3 tp -62.02 -36.35 81.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.83 -41.18 97.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HB2' HG21 ' A' ' 31' ' ' ILE . 8.6 mmt85 -59.98 -38.0 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.26 -51.31 46.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -62.0 -23.14 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.79 10.84 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.67 30.63 20.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.3 31.84 5.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 24' ' ' ARG . 19.0 tt -102.91 147.07 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.55 131.87 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.7 pt -142.11 -178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 2.6 m120 -91.31 103.98 16.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.652 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -74.4 -30.58 62.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -43.28 99.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.661 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -87.93 -29.29 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.278 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -58.34 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 53' ' ' ILE . 1.4 mt -86.9 -28.78 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -96.82 -5.85 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.56 37.52 19.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -77.4 -16.47 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.38 -13.72 43.49 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.18 150.21 29.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.339 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.92 97.27 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.987 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -109.91 -177.33 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -54.59 -29.22 50.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -45.07 93.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 53' ' ' ILE . 4.6 m-20 -60.73 -43.02 98.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.627 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.66 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.9 tp -58.01 -36.43 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.14 -29.18 62.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.336 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.7 mt -78.59 -35.11 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.626 ' CD1' HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -65.11 -37.06 86.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -77.69 -49.1 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -61.47 -34.71 75.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE1' HD22 ' A' ' 65' ' ' LEU . 36.9 t80 -64.85 -50.3 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' A' ' 54' ' ' LEU . 29.2 mt -68.66 -20.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.87 11.79 19.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.435 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt 56.49 29.96 16.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.755 0.312 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -92.37 -31.63 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.6 pt -130.29 118.35 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -107.82 13.38 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.14 106.39 16.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 110.731 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 65' ' ' LEU . 1.3 tp -128.56 143.02 46.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 74.1 Cg_endo -77.07 165.21 85.42 Favored 'Cis proline' 0 C--N 1.346 0.414 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.287 0.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.8 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -179.819 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 85.75 7.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -108.44 114.82 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.81 103.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 126.79 -25.74 5.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -67.37 74.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.852 HG11 HD13 ' A' ' 22' ' ' LEU . 8.8 m -73.28 -30.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -85.38 -8.86 58.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.507 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.58 52.59 3.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.379 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -108.23 -16.83 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.91 55.29 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -136.65 146.33 45.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 HD23 ' A' ' 4' ' ' LEU . 21.3 t -93.19 99.45 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -111.98 172.78 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m -58.99 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 15' ' ' ASN . 9.0 t -58.79 -31.2 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 8' ' ' VAL . 4.0 m-20 -65.43 -32.66 74.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -52.49 29.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 17' ' ' THR . 10.8 p -59.75 -32.12 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.53 71.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.852 HD13 HG11 ' A' ' 8' ' ' VAL . 9.9 tp -72.56 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -57.74 -34.01 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -70.8 -36.02 72.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -69.95 -44.83 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.2 -22.43 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.65 14.9 13.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 56.12 36.8 28.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -67.17 -30.63 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.96 34.49 5.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.577 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.4 tt -114.31 117.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 m -72.03 121.31 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CD1' HD12 ' A' ' 22' ' ' LEU . 34.9 pt -127.43 179.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -87.77 106.92 18.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.626 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -78.81 -30.48 45.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.29 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -85.83 -31.62 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.851 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.15 -39.79 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.6 98.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.824 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -84.44 -26.68 28.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -103.23 -2.11 27.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.612 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.58 35.72 19.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -79.22 -16.64 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.68 16.3 39.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.726 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 162.5 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 22' ' ' LEU . 21.5 t -112.99 97.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.53 -169.08 1.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -60.7 -27.85 68.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.572 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.791 HG22 HD11 ' A' ' 53' ' ' ILE . 94.1 m -60.58 -49.0 79.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.729 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.31 -41.6 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 22' ' ' LEU . 8.2 tp -56.57 -32.86 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 -35.81 20.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.791 HD11 HG22 ' A' ' 49' ' ' THR . 11.4 mt -66.88 -39.7 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.745 HD13 HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -70.61 -37.85 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -40.69 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -67.85 -35.16 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CE1' HD22 ' A' ' 65' ' ' LEU . 38.3 t80 -66.96 -37.28 83.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.0 mt -83.45 -20.49 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.397 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.06 19.75 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.326 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.9 33.22 19.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -96.19 -32.16 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 53' ' ' ILE . 24.0 pt -141.08 131.88 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.46 -19.41 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 65' ' ' LEU . 91.3 m -78.43 119.54 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.692 HD21 HD11 ' A' ' 40' ' ' LEU . 2.1 mp -138.02 151.07 69.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.696 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.91 170.08 72.69 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.301 -1.541 . . . . 0.0 112.417 0.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.849 0.357 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 1.06 HG23 HD12 ' A' ' 4' ' ' LEU . 3.7 t -137.83 161.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 86.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.06 HD12 HG23 ' A' ' 2' ' ' THR . 0.2 OUTLIER -99.34 125.92 45.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.674 ' HB3' HD23 ' A' ' 40' ' ' LEU . 26.2 m-85 -60.51 92.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.12 -28.45 3.04 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.411 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -73.48 92.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -86.29 -32.15 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -77.67 -9.06 58.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.421 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 58.5 57.73 3.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.03 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -112.36 -16.79 12.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.26 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.08 20.43 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.556 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -167.3 147.28 5.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.5 99.84 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -109.05 171.26 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -60.61 -31.38 70.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 m -59.59 -30.94 69.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.24 -31.75 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HA ' HD22 ' A' ' 54' ' ' LEU . . . -68.1 -58.06 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.02 -35.07 58.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -46.6 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.702 HD22 HD13 ' A' ' 54' ' ' LEU . 17.4 tp -62.07 -37.99 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -59.72 -32.42 70.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -69.5 -41.97 75.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -66.93 -45.5 77.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 22' ' ' LEU . 32.8 t -59.35 -31.85 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 tp -76.38 -6.36 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.268 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.6 mtt85 62.56 43.58 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.946 0.403 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -24.15 30.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.6 40.24 2.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.8 tt -102.52 130.27 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.056 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.1 t -81.47 120.5 25.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 pt -141.6 179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.4 86.05 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -56.24 -30.93 63.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.4 -41.48 97.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -80.4 -31.17 37.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.92 89.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -59.19 98.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mt -88.64 -26.72 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -98.51 -10.17 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.423 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 39.34 6.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -77.35 -16.62 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.57 -13.77 42.69 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.99 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -149.04 147.58 28.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.96 97.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -111.43 -178.12 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.987 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -29.25 59.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.778 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.489 HG22 HD11 ' A' ' 53' ' ' ILE . 3.6 m -58.88 -50.3 74.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.747 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.2 m-20 -57.97 -40.46 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.3 tm? -58.0 -52.15 66.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.64 -40.12 94.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.389 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.8 mt -64.59 -42.36 94.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 0.0 110.932 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 22' ' ' LEU . 3.5 tt -63.58 -42.6 98.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.801 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -68.47 -44.05 75.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -62.92 -36.01 81.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CE1' HD22 ' A' ' 65' ' ' LEU . 72.6 t80 -59.57 -42.9 93.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -79.45 -16.42 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.406 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.63 19.62 8.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.219 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.6 mttp 55.89 39.67 30.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -103.28 -33.65 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.406 ' CD1' HG23 ' A' ' 53' ' ' ILE . 18.0 pt -140.43 127.81 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.51 -26.09 9.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 65' ' ' LEU . 26.7 m -78.41 115.24 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -137.48 151.96 72.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE2' ' A' ' 5' ' ' TYR . 77.4 Cg_endo -77.67 167.42 78.95 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.341 -1.524 . . . . 0.0 112.433 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -82.27 153.23 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.811 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.05 89.55 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 t30 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.873 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.881 0.372 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -91.55 170.41 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 84.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.49 117.13 33.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -61.53 107.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.451 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 109.19 27.71 4.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -131.6 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.1 m -84.63 -29.7 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -77.75 -8.88 58.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.428 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 60.1 57.12 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -113.17 -16.72 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.92 19.41 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.624 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.3 145.91 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.9 t -83.45 99.55 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.09 171.26 7.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -58.71 -30.49 67.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -58.97 -31.4 68.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -65.56 -35.61 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.77 -49.79 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.16 -34.11 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.79 85.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 26' ' ' VAL . 50.4 tp -64.38 -43.18 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 51' ' ' LEU . 15.3 ttmm -60.23 -43.8 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -60.39 -33.26 72.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD13 ' A' ' 33' ' ' ILE . 85.5 t80 -75.3 -43.03 53.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 22' ' ' LEU . 17.5 t -59.23 -30.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 tp -84.9 -11.54 55.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.285 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 61.7 55.69 2.64 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.969 0.414 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.21 32.49 2.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.5 40.16 96.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.597 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -109.62 129.48 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.44 124.79 40.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 25' ' ' TYR . 27.4 pt -146.0 -177.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.262 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -92.25 105.78 17.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.56 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 p -74.99 -30.02 61.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.11 -43.32 95.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.451 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -81.33 -36.26 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.714 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.842 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.0 -48.25 80.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -59.46 97.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.577 HD11 HD22 ' A' ' 54' ' ' LEU . 65.6 mt -88.69 -23.41 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -102.55 -10.14 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.472 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 61.31 38.58 16.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.878 0.37 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 p30 -77.28 -16.76 58.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.15 -13.66 44.47 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -153.28 151.14 29.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 26' ' ' VAL . 21.2 t -82.99 97.34 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.967 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -108.24 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.978 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -56.16 -29.79 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -59.76 -47.77 84.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.723 ' HA ' HD12 ' A' ' 53' ' ' ILE . 9.0 m-20 -58.28 -43.2 87.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.8 tt -57.71 -34.08 69.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.45 -33.72 42.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.146 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 50' ' ' ASP . 14.6 mt -70.64 -36.27 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.577 HD22 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.66 -44.21 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.725 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -38.56 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -63.08 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.792 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -64.28 -39.58 94.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.742 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mt -76.78 -24.2 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 6.86 29.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.413 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.93 32.69 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -95.36 -32.04 13.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 53' ' ' ILE . 18.0 pt -127.68 127.02 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.44 -29.35 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.8 m -82.01 120.33 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.018 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 64' ' ' THR . 2.5 mp -137.8 154.58 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.7 Cg_endo -75.17 169.42 74.6 Favored 'Cis proline' 0 C--N 1.347 0.485 0 C-N-CA 123.255 -1.56 . . . . 0.0 112.545 0.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -70.83 133.8 46.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.996 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.96 76.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.944 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.83 0.348 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.699 HG23 HD12 ' A' ' 4' ' ' LEU . 2.6 t -77.36 161.83 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 102.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.699 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -122.14 118.69 29.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.604 ' HB3' HD23 ' A' ' 65' ' ' LEU . 6.4 m-85 -57.41 97.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 112.35 40.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.433 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -132.1 77.77 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG11 ' HB2' ' A' ' 22' ' ' LEU . 28.9 m -73.53 -37.53 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.343 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -77.69 -8.98 58.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.398 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 58.99 56.0 4.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.887 0.375 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -110.03 -16.75 13.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.22 23.13 20.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.567 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -167.25 135.95 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.6 t -85.03 99.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -112.77 171.35 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -59.17 -30.83 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HG12 ' A' ' 20' ' ' VAL . 90.2 m -59.31 -30.64 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.17 -36.24 81.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.776 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -46.6 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 17' ' ' THR . 10.2 p -69.38 -31.05 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' HG21 ' A' ' 8' ' ' VAL . . . -69.79 -43.26 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 54' ' ' LEU . 55.7 tp -68.11 -34.24 76.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -62.21 -48.58 79.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -59.02 -36.35 74.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.47 -48.36 75.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 22' ' ' LEU . 23.4 t -65.55 -21.65 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 tp -91.56 14.15 15.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.387 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 56.18 39.22 30.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.701 0.286 . . . . 0.0 110.971 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -70.58 -34.99 72.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.31 39.39 2.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -117.71 126.73 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 111.082 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.6 m -72.73 143.49 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.8 pt -150.28 -177.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.21 106.24 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.5 p -73.82 -30.91 62.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.591 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -43.26 98.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -87.18 -34.82 18.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.811 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -59.11 -39.37 82.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -66.31 97.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.7 mt -88.68 -24.19 22.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -101.47 -8.77 21.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.42 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 60.92 39.41 16.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.807 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -77.42 -16.52 58.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.41 -13.78 43.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -154.58 152.61 30.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -111.43 -177.46 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.009 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.62 -28.9 49.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -48.36 81.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.614 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -59.59 -37.88 79.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.687 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.29 -36.14 75.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.67 -40.5 14.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.15 -43.1 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.654 HD22 HD22 ' A' ' 22' ' ' LEU . 33.2 tp -61.79 -47.87 83.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -63.81 -41.99 97.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.89 -40.46 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -65.56 -43.26 90.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 mt -75.52 -17.5 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.305 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -92.52 16.87 11.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.97 37.17 28.56 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.785 0.326 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.74 -40.1 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 pt -131.98 131.42 61.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.07 -22.69 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.677 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.0 t -78.45 123.76 27.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 64' ' ' THR . 2.6 mp -136.99 155.13 76.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.679 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.5 Cg_endo -76.64 168.82 76.1 Favored 'Cis proline' 0 C--N 1.346 0.437 0 C-N-CA 123.344 -1.523 . . . . 0.0 112.404 0.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -77.09 108.81 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -114.78 100.27 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.0 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.95 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.922 0.391 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.1 t -105.87 155.66 19.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -62.3 87.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.79 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 118.72 37.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 40' ' ' LEU . 51.1 m-85 -56.47 97.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.23 -25.38 4.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.597 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.0 91.58 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.0 m -86.25 -30.22 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -86.99 -8.98 56.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.372 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 62.08 54.5 2.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -103.6 -16.74 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.196 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.88 17.43 23.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 161.45 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.8 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -103.52 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -112.0 -170.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 p -73.38 -30.48 63.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.1 m -58.06 -30.38 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.89 -31.24 70.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -51.04 23.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.58 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.66 79.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.722 ' O ' HG23 ' A' ' 26' ' ' VAL . 23.4 tp -70.49 -32.01 69.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -65.61 -35.74 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -65.93 -48.75 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -57.94 -43.02 86.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.9 t -68.68 -19.61 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.338 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -95.87 25.02 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.13 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 56.33 30.01 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -67.81 -33.27 74.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.43 39.96 9.42 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -100.99 134.0 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.7 t -74.09 123.96 25.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 pt -146.8 175.01 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 101.2 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.528 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.1 p -67.98 -30.72 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -43.24 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.352 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -79.92 -38.04 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.816 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -46.08 85.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -64.67 103.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 5' ' ' TYR . 4.2 mm? -85.56 -32.97 21.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -94.22 -11.32 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.476 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 59.54 40.85 19.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -77.33 -12.37 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.53 4.29 37.34 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.052 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -167.24 148.05 5.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.565 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.7 t -83.04 97.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -111.34 -178.67 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -29.66 65.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -58.38 -50.56 73.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.778 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.95 -42.21 89.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.9 tt -60.58 -43.29 97.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.619 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.36 -28.88 74.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.234 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.1 mt -77.06 -36.18 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.831 HD23 HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -64.79 -37.59 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.763 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -65.22 -48.62 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.26 -38.47 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' CE1' HD22 ' A' ' 65' ' ' LEU . 48.4 t80 -62.6 -44.31 96.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.831 HD11 HD23 ' A' ' 54' ' ' LEU . 15.2 mt -72.88 -21.68 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mp -93.06 16.74 12.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.78 20.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 111.061 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.59 -45.25 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 57' ' ' TYR . 24.9 pt -113.48 135.42 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -113.92 -29.03 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.583 ' O ' HD12 ' A' ' 65' ' ' LEU . 52.4 m -79.14 122.25 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.072 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 64' ' ' THR . 1.2 mp -140.53 148.99 55.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.5 Cg_endo -76.31 176.61 43.08 Favored 'Cis proline' 0 C--N 1.345 0.391 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.392 0.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -70.68 140.05 51.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -108.66 86.76 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.912 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.86 0.362 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -62.02 169.46 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -65.0 88.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tt -110.19 124.16 51.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -65.73 105.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.764 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.85 32.18 2.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -133.16 89.24 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.348 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.6 m -86.23 -33.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.272 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -77.65 -8.95 58.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.74 58.57 2.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -112.65 -16.88 12.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.65 22.24 16.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -167.26 156.97 10.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.8 99.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -110.62 172.49 6.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -62.67 -32.33 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.3 m -59.96 -29.63 68.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.21 -31.1 69.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -52.42 21.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.3 p -59.5 -40.91 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.16 -38.73 92.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.9 tp -70.31 -37.03 74.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -59.98 -45.82 91.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -60.35 -39.04 85.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -60.26 -50.61 72.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -61.8 -18.96 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -84.59 6.2 24.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.491 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.34 34.62 10.41 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.39 -31.33 63.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.66 31.0 7.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.7 tt -90.8 145.23 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -91.46 115.75 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.777 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.2 pt -132.96 -177.67 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -95.8 104.56 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.658 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.5 p -73.61 -31.27 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.508 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -84.12 -34.35 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.87 -42.13 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -64.42 98.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' HB ' ' A' ' 53' ' ' ILE . 37.6 mt -87.27 -27.6 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -97.95 -11.37 23.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.426 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.86 38.79 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -77.3 -16.6 58.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.84 9.95 41.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.915 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.17 143.18 4.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.1 97.22 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -110.27 179.1 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -58.94 -29.65 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.761 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 53' ' ' ILE . 86.5 m -59.88 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.824 ' HA ' HD12 ' A' ' 53' ' ' ILE . 38.3 m-20 -59.17 -41.45 88.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.701 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.1 tp -60.88 -32.38 71.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.69 -34.0 40.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 50' ' ' ASP . 12.1 mt -68.54 -30.26 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CB ' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.77 -50.04 26.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -60.73 -44.2 96.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -63.92 -31.48 72.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -69.55 -32.32 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 54' ' ' LEU . 21.8 mt -84.33 -21.71 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.04 22.24 6.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.217 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 53.51 29.9 9.78 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.837 0.351 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -89.35 -31.16 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 53' ' ' ILE . 17.5 pt -139.01 127.41 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -111.33 13.42 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -109.51 109.43 20.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.7 tp -133.23 140.6 37.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.05 171.33 67.2 Favored 'Cis proline' 0 C--N 1.347 0.488 0 C-N-CA 123.338 -1.526 . . . . 0.0 112.409 0.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -70.95 130.03 40.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 69.1 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.922 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.865 0.364 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -97.15 158.86 15.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -63.33 94.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mt -115.31 154.26 29.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.83 108.53 20.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.692 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 115.33 -27.29 8.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.55 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -68.94 83.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG12 ' HB2' ' A' ' 38' ' ' ALA . 28.0 m -81.72 -33.05 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.65 -8.97 59.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 61.31 51.17 4.37 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -112.66 -16.86 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.28 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.92 25.24 17.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 130.14 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.739 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.22 99.37 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -112.79 -177.04 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -30.34 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.979 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -64.17 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' OD1' HG22 ' A' ' 8' ' ' VAL . 8.8 m-20 -66.41 -30.62 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -72.65 -52.42 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.4 p -60.39 -40.58 84.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.4 -39.86 92.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' VAL . 24.8 tp -70.53 -31.11 68.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.38 -44.35 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -60.03 -46.9 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.45 -50.51 73.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.0 t -65.4 -25.41 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.238 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.8 tt -88.59 9.09 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.434 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 59.23 48.31 10.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -35.05 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.22 33.01 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -112.02 130.33 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.9 t -77.48 133.02 38.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.5 pt -148.5 176.58 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -86.79 103.83 15.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.4 p -75.16 -30.73 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -43.24 96.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.565 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -78.96 -38.1 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.52 -42.87 88.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.84 97.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.741 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 54' ' ' LEU . 76.1 mt -88.06 -22.75 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.298 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -104.23 -7.38 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.452 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 61.32 39.71 15.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.45 -16.53 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 94.63 10.99 57.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.937 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -167.2 144.13 4.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.586 HG12 HG22 ' A' ' 26' ' ' VAL . 20.3 t -83.1 97.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -111.41 -178.22 3.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -58.83 -29.26 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -58.56 -50.32 74.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.793 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.716 ' HA ' HD12 ' A' ' 53' ' ' ILE . 44.6 m-20 -59.36 -40.85 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.645 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 23' ' ' LYS . 7.9 tt -60.53 -35.13 75.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.66 -31.49 58.47 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.333 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 50' ' ' ASP . 11.9 mt -75.11 -31.24 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -72.15 -49.19 37.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 -48.61 80.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -60.69 -42.58 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.82 -48.05 83.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.72 -19.96 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.384 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.5 mt -91.38 15.04 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.384 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt 55.43 29.05 12.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.788 0.328 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -90.78 -39.98 12.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 pt -122.93 126.37 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.75 13.42 25.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 m -104.76 106.39 16.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.812 0.339 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.4 tp -134.11 138.99 31.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.3 Cg_endo -75.93 163.49 90.04 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.411 -1.495 . . . . 0.0 112.518 0.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 69' ' ' ASN . 49.9 t80 -70.79 100.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -99.29 84.56 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 9.4 t30 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.791 0.329 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t -108.36 170.87 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.52 82.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.44 124.56 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 66' ' ' PRO . 80.5 m-85 -59.13 101.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.7 -27.47 5.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.53 83.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG12 ' HB2' ' A' ' 38' ' ' ALA . 29.1 m -80.98 -28.43 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -89.18 8.86 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.394 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.5 53.04 5.9 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.83 0.348 . . . . 0.0 111.588 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -105.49 -16.81 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.232 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.14 24.69 21.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -167.24 138.71 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.24 99.48 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -110.72 170.42 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 p -61.15 -31.48 71.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.0 m -59.61 -30.6 68.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -66.74 -41.15 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.59 -54.09 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.75 -40.48 82.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.36 85.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD22 HD12 ' A' ' 54' ' ' LEU . 20.6 tp -65.21 -36.17 83.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -41.7 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -66.03 -31.98 73.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' HD13 ' A' ' 33' ' ' ILE . 61.8 t80 -64.93 -44.93 87.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.98 -29.61 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.014 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.41 -9.95 59.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.361 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.38 55.6 1.38 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.965 0.412 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 p -101.27 18.52 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.223 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.39 29.58 75.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.59 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.0 tt -88.7 125.58 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 117.88 26.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 25' ' ' TYR . 32.5 pt -139.89 -177.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -92.08 104.44 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.9 p -75.54 -31.02 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.604 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -43.34 99.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -81.1 -35.11 32.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.846 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.84 -39.63 78.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -60.53 100.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.82 -28.81 24.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.311 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -98.21 -11.27 22.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 61.01 40.03 15.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -77.43 -16.56 58.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 6.55 35.65 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.095 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -167.33 146.01 4.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.8 t -83.04 96.95 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -111.48 -178.85 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.021 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.3 t -60.53 -29.34 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -51.36 70.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.78 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.1 -41.06 82.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.709 ' O ' HD13 ' A' ' 51' ' ' LEU . 3.3 tm? -59.19 -34.43 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.17 -35.39 49.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.366 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -70.89 -37.35 67.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.664 HD12 HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -61.78 -44.6 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.12 -35.56 80.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -43.61 98.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.611 ' CD1' HD22 ' A' ' 65' ' ' LEU . 71.9 t80 -63.33 -37.38 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.607 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 20.1 mt -76.84 -18.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.348 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.59 19.85 9.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.242 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.8 tttt 55.51 30.89 15.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.74 -41.33 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.4 pt -127.11 130.73 71.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 -27.79 9.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.657 ' O ' HD12 ' A' ' 65' ' ' LEU . 39.1 m -78.46 113.98 16.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 64' ' ' THR . 2.0 mp -136.99 152.65 74.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.761 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 5' ' ' TYR . 73.5 Cg_endo -77.31 171.21 68.8 Favored 'Cis proline' 0 C--N 1.345 0.382 0 C-N-CA 123.366 -1.514 . . . . 0.0 112.485 0.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -79.53 127.45 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.93 69.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.93 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 p -142.79 155.9 44.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.26 82.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.525 HD23 HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -105.53 127.18 52.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -58.8 107.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' HA2' HD21 ' A' ' 40' ' ' LEU . . . 116.39 -27.42 8.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.501 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -63.25 82.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' OD2' ' A' ' 18' ' ' ASP . 16.9 m -80.92 -29.13 11.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -82.52 -8.96 59.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.76 55.28 3.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -110.66 -16.75 13.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.57 16.55 24.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.654 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -167.18 160.82 14.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.585 HG21 ' HE2' ' A' ' 57' ' ' TYR . 22.6 t -96.53 101.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -109.34 170.74 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -59.31 -29.88 67.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 20' ' ' VAL . 88.3 m -57.94 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' OD2' HG22 ' A' ' 8' ' ' VAL . 9.5 m-20 -66.95 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -65.42 -46.66 79.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 17' ' ' THR . 11.0 p -70.4 -33.93 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.36 -39.98 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 HD22 ' A' ' 51' ' ' LEU . 16.6 tp -71.24 -33.73 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.62 -47.29 76.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -62.2 -30.51 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -68.46 -53.74 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -56.95 -30.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 27' ' ' LEU . 7.4 tt -76.53 -9.44 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.297 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 63.75 54.84 1.75 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.941 0.4 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.1 p -97.49 18.92 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.33 37.9 94.42 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.557 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -100.53 145.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -103.53 133.39 48.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.1 pt -152.73 -177.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -90.18 104.54 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.571 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 p -75.82 -28.67 58.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -43.37 90.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.576 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -88.45 -30.33 19.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.88 73.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -60.71 98.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HB ' ' A' ' 53' ' ' ILE . 24.6 mt -87.19 -29.39 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -95.56 -11.31 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.432 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 60.78 37.49 18.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -77.42 -12.58 59.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.251 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.6 -13.66 42.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.926 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -154.13 152.71 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.35 97.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -111.41 -177.0 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.0 t -55.01 -29.23 56.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 m -59.64 -48.19 82.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.751 ' HA ' HD12 ' A' ' 53' ' ' ILE . 20.2 m-20 -58.24 -45.8 87.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.14 -29.25 70.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.36 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.3 mt -77.79 -33.53 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.975 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -76.47 -36.46 57.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.781 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.69 -53.77 42.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -63.94 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.585 ' HE2' HG21 ' A' ' 14' ' ' VAL . 72.6 t80 -60.14 -49.8 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.48 HG12 HG12 ' A' ' 14' ' ' VAL . 15.1 mt -71.67 -18.44 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 16.31 11.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 30.09 16.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -94.29 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 ' O ' ' A' ' 53' ' ' ILE . 20.0 pt -117.98 130.3 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -121.63 13.4 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 7.7 m -108.51 106.37 16.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.821 0.343 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' THR . 4.4 mp -134.11 157.49 77.51 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.79 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.11 163.71 90.02 Favored 'Cis proline' 0 C--N 1.348 0.523 0 C-N-CA 123.239 -1.567 . . . . 0.0 112.435 0.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 64.9 t80 -70.88 142.11 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.98 69.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 1.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -89.13 164.09 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.97 83.21 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 145.29 35.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.36 100.3 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.47 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 124.14 -28.2 5.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -67.17 81.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 38' ' ' ALA . 14.5 m -82.86 -30.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.4 -8.29 59.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.369 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 63.13 55.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.951 0.405 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -114.24 -16.74 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.02 20.12 24.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.574 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -167.22 143.87 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.1 99.43 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -112.81 -177.49 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.9 p -59.61 -31.12 69.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -59.17 -31.32 68.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.538 ' OD1' HG22 ' A' ' 8' ' ' VAL . 19.7 m-20 -68.42 -31.33 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.17 -43.18 68.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.96 -33.09 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -42.32 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.738 ' O ' HG23 ' A' ' 26' ' ' VAL . 17.8 tp -67.45 -31.12 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HE3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -70.69 -38.61 73.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 mtp85 -63.37 -34.88 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.44 -47.9 45.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 22' ' ' LEU . 28.1 t -60.83 -21.32 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -89.15 9.93 23.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.399 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 57.66 34.82 24.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.756 0.312 . . . . 0.0 110.988 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 m -71.38 -31.15 66.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.11 28.5 6.83 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.438 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 tt -91.62 150.49 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -99.65 123.5 43.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 pt -138.8 -177.7 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.82 105.27 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.615 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -72.39 -29.92 64.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -43.26 96.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.616 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -80.2 -37.42 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.76 -45.62 85.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -59.22 98.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.74 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HD22 ' A' ' 54' ' ' LEU . 65.5 mt -87.65 -24.02 24.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -102.28 -6.93 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 60.72 38.19 18.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.8 p30 -77.43 -16.41 58.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.79 16.18 52.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.831 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.22 137.68 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.703 0.287 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 22' ' ' LEU . 28.7 t -85.63 97.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.65 -177.39 3.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -58.15 -29.14 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 m -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' HD12 ' A' ' 53' ' ' ILE . 11.1 m-20 -58.21 -43.2 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.6 tt -58.84 -38.31 78.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.399 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.82 -30.61 70.3 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.969 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 50' ' ' ASP . 24.3 mt -79.24 -28.91 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 0.0 110.811 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -70.19 -52.26 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -61.96 -42.74 99.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -58.88 -32.92 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 62' ' ' ILE . 52.8 t80 -72.42 -34.55 67.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.4 HD12 ' HB2' ' A' ' 19' ' ' ALA . 38.4 mt -84.02 -23.05 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.261 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -93.84 19.11 9.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 55.08 30.87 15.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -90.68 -32.74 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.723 HD11 ' HB2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -134.83 126.74 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.084 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.68 13.41 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.2 m -118.94 106.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.05 152.52 70.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.47 162.35 92.03 Favored 'Cis proline' 0 C--N 1.347 0.464 0 C-N-CA 123.315 -1.535 . . . . 0.0 112.417 0.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 69' ' ' ASN . 76.9 t80 -70.87 109.14 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.63 90.26 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p -141.09 167.74 21.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 87.14 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD2' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -115.78 128.18 55.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' PRO . 98.3 m-85 -59.68 115.99 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.49 -28.1 14.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.55 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.28 86.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG12 ' HB2' ' A' ' 38' ' ' ALA . 30.1 m -85.49 -31.93 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -80.7 -8.96 59.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.19 56.87 2.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -110.42 -16.74 13.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.211 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.01 17.74 24.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.688 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.27 157.48 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 4' ' ' LEU . 21.9 t -93.39 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -109.71 169.33 8.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 -30.86 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 m -58.7 -28.58 65.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.92 -40.23 96.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -62.81 -54.01 45.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.18 -34.78 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.72 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 51' ' ' LEU . 19.7 tp -69.91 -31.24 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 51' ' ' LEU . 26.5 mttm -65.34 -39.35 92.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -66.06 -40.82 91.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -59.5 -56.14 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.45 -17.1 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.18 21.81 4.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.325 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 44.56 38.17 2.53 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.456 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.07 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.15 31.59 5.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' A' ' 24' ' ' ARG . 11.3 tt -99.93 145.07 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.075 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.66 120.41 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 pt -129.74 -177.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -91.48 107.51 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.01 -29.62 55.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.34 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -84.34 -35.67 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.47 -38.91 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -62.68 98.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' A' ' 54' ' ' LEU . 27.0 mt -88.5 -25.24 22.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.5 p30 -100.73 -8.13 23.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.393 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 61.73 39.26 14.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -77.34 -16.61 58.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.39 -13.65 43.46 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.061 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.94 149.28 28.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.04 100.87 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.984 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -111.32 -178.44 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 56.6 m -56.2 -30.81 62.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.63 HG21 HD21 ' A' ' 69' ' ' ASN . 3.1 m -60.47 -47.8 84.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.68 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.856 ' HA ' HD12 ' A' ' 53' ' ' ILE . 17.9 m-20 -57.59 -41.12 80.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 51' ' ' LEU . 6.0 tt -58.32 -39.85 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.682 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.19 -35.93 56.65 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.42 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 50' ' ' ASP . 9.7 mt -66.24 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.796 0.331 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -63.97 -36.59 84.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 58' ' ' ILE . 7.2 ttpt -67.77 -41.18 83.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -61.59 -43.81 98.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -58.95 -36.59 75.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -73.26 -28.37 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.266 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.25 23.79 6.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.211 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 52.65 28.5 6.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -83.3 -30.7 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 53' ' ' ILE . 10.7 pt -135.2 133.56 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.14 13.38 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.611 ' O ' HD12 ' A' ' 65' ' ' LEU . 15.1 t -122.77 115.67 22.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.71 0.29 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 64' ' ' THR . 3.1 mp -132.31 151.37 78.2 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.824 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 5' ' ' TYR . 71.7 Cg_endo -76.7 166.61 82.23 Favored 'Cis proline' 0 C--N 1.347 0.465 0 C-N-CA 123.37 -1.512 . . . . 0.0 112.402 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -70.85 140.57 51.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.3 82.27 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.63 HD21 HG21 ' A' ' 49' ' ' THR . 6.8 t-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.702 0.286 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -159.09 156.87 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.44 91.73 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 5' ' ' TYR . 0.2 OUTLIER -117.05 164.96 13.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.454 ' H ' HD23 ' A' ' 4' ' ' LEU . 58.9 m-85 -85.6 106.3 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.27 7.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -68.81 80.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG12 ' HB2' ' A' ' 38' ' ' ALA . 31.3 m -77.99 -35.56 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.177 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -78.12 -8.92 58.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 t0 60.94 54.29 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -110.15 -16.84 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.267 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.75 23.01 12.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -167.2 161.28 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -109.2 99.44 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 17' ' ' THR . 15.6 t-20 -111.83 172.7 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 p -57.12 -29.95 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.79 -29.85 68.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -73.2 -39.95 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -59.54 -45.37 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.79 -38.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.33 94.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 51' ' ' LEU . 34.7 tp -61.31 -41.47 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -67.6 -31.4 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HB2' HD13 ' A' ' 33' ' ' ILE . 60.1 t80 -71.61 -39.06 70.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 t -66.44 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.57 -3.24 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.339 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.19 55.61 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.022 0.439 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -93.28 15.7 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.324 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.43 40.21 96.18 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.572 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 12.5 tt -106.93 127.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.124 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -86.03 119.08 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' ' 25' ' ' TYR . 25.1 pt -138.72 171.69 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -83.4 97.92 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.653 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.3 p -64.14 -29.92 71.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -43.28 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.461 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.41 -34.57 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.733 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.63 -45.27 85.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.18 99.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.788 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD11 HD23 ' A' ' 54' ' ' LEU . 1.7 mt -88.52 -27.57 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -97.4 -11.27 24.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.447 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.12 37.97 20.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.38 -16.5 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.52 -13.68 42.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -147.36 144.41 28.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.337 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 22' ' ' LEU . 22.0 t -82.94 97.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.36 -177.54 3.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.946 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -55.87 -28.61 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -52.23 66.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.749 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' A' ' 53' ' ' ILE . 8.8 m-20 -56.4 -40.38 74.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -60.02 -47.39 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.568 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.23 -38.12 95.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.328 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' A' ' 50' ' ' ASP . 22.3 mt -60.09 -43.85 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.942 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.65 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -63.31 -47.71 81.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -63.71 -48.59 76.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -65.65 -33.07 75.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -60.03 -41.63 92.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 58' ' ' ILE . 31.3 mt -86.35 -10.52 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.579 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tp -94.86 21.22 7.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.229 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.4 28.28 7.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.15 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -93.33 -36.66 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.86 116.98 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -109.14 13.51 24.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.332 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.6 m -110.67 106.43 15.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.72 151.43 54.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.31 171.62 67.21 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.321 -1.533 . . . . 0.0 112.366 -0.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 69' ' ' ASN . 16.5 t80 -70.84 120.05 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -75.51 83.26 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . 9.5 t30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 t -63.12 161.52 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -75.34 82.94 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.71 134.5 40.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -72.36 103.88 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.66 24.81 4.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.596 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -125.4 84.96 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.774 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 18' ' ' ASP . 19.1 m -78.86 -29.14 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.459 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.95 -9.0 59.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 t70 56.6 56.4 5.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -112.19 -16.76 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.9 22.18 18.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.636 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.31 136.26 2.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.772 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 6' ' ' GLY . 22.9 t -83.45 99.52 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.038 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -111.47 171.23 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -61.14 -30.38 70.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.8 m -58.83 -31.26 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.544 ' HB3' HG22 ' A' ' 8' ' ' VAL . 3.0 m-20 -69.05 -31.37 70.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 54' ' ' LEU . . . -64.73 -50.89 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.75 -35.8 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.18 89.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.509 ' CD2' HD22 ' A' ' 54' ' ' LEU . 29.8 tp -66.93 -33.45 75.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HG2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -65.79 -46.37 78.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -59.86 -31.58 69.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -64.0 -54.9 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.78 -25.64 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -81.17 0.43 36.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.493 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.74 39.74 6.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.29 -31.01 57.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.51 31.42 4.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.0 tt -106.72 116.6 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.088 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -71.87 130.96 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.0 pt -134.39 -178.95 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.79 106.81 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.519 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.2 p -72.92 -29.23 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -43.41 98.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -88.29 -32.57 18.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.73 -46.94 83.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -57.94 97.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 54' ' ' LEU . 92.2 mt -88.7 -25.65 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.44 -11.13 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.405 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.91 37.2 12.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 47.5 p30 -77.44 -16.58 58.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.34 -13.68 58.36 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.885 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -142.38 141.69 32.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.02 97.17 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -110.54 -179.46 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -58.63 -31.01 67.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD11 ' A' ' 53' ' ' ILE . 24.4 m -58.48 -48.36 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 53' ' ' ILE . 41.2 m-20 -60.23 -38.67 84.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 23' ' ' LYS . 58.7 tp -61.96 -35.68 79.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.49 -28.3 61.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 50' ' ' ASP . 7.3 mt -76.29 -29.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 19' ' ' ALA . 6.8 tp -69.61 -59.3 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -58.8 -36.75 74.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -59.58 -43.36 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.05 -29.98 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.83 -24.38 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.25 23.54 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm 54.83 39.0 31.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.93 -36.99 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 ' O ' ' A' ' 53' ' ' ILE . 25.8 pt -132.99 138.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.22 -21.83 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -78.44 124.14 27.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.002 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 tp -147.93 140.1 14.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.667 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.448 ' HA ' HD12 ' A' ' 65' ' ' LEU . 72.4 Cg_endo -77.16 168.96 75.49 Favored 'Cis proline' 0 C--N 1.347 0.496 0 C-N-CA 123.423 -1.49 . . . . 0.0 112.49 0.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -70.87 153.82 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -140.59 87.86 2.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.923 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -110.03 162.49 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.2 95.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.54 160.21 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -86.11 112.52 21.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.95 -28.85 14.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.432 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -71.05 88.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.656 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.3 m -82.38 -30.02 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.351 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -83.66 -8.91 59.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.349 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.23 52.52 4.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.93 0.395 . . . . 0.0 111.022 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -105.41 -16.82 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.65 24.54 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.569 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 140.77 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.34 100.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -111.6 170.69 7.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -30.6 68.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.3 m -58.44 -30.8 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -64.01 -32.95 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB2' HD12 ' A' ' 58' ' ' ILE . . . -71.45 -54.01 12.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.63 -39.01 78.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.36 93.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 51' ' ' LEU . 38.6 tp -64.48 -32.57 74.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.9 -44.97 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.771 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -61.52 -39.86 92.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -64.76 -45.4 86.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 22' ' ' LEU . 25.7 t -73.13 -20.77 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.272 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.4 tp -80.81 0.45 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.509 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 66.4 35.0 5.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.893 0.378 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.5 m -80.43 -38.58 29.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.37 40.27 2.1 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.408 HG21 ' HB2' ' A' ' 24' ' ' ARG . 12.3 tt -95.35 153.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -99.95 120.15 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.4 pt -144.37 168.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -78.24 97.19 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.4 p -66.13 -30.51 71.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -43.41 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.466 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -79.43 -36.18 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -59.33 98.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.6 mt -88.49 -23.74 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.186 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -102.72 -5.08 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.497 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 60.3 39.62 18.69 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.838 0.352 . . . . 0.0 110.932 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -77.32 -16.64 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.5 8.33 58.57 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.769 . . . . 0.0 113.017 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -167.29 146.85 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.59 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.4 t -83.98 97.14 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -111.43 -179.58 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -59.14 -30.95 68.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.36 -48.17 82.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.681 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.832 ' HA ' HD12 ' A' ' 53' ' ' ILE . 56.7 m-20 -58.74 -41.81 87.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.4 tp -59.6 -32.84 70.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.41 -35.28 33.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.306 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.2 mt -68.59 -32.82 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.811 0.339 . . . . 0.0 110.861 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -69.18 -44.21 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.806 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -60.77 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -61.79 -32.07 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -70.96 -48.37 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 19' ' ' ALA . 48.5 mt -68.13 -20.53 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.229 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.0 8.96 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mttt 60.31 30.72 20.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -93.74 -34.78 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.0 pt -130.01 128.44 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -120.17 13.49 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.273 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 65' ' ' LEU . 62.3 m -112.73 106.51 14.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 64' ' ' THR . 3.5 mp -125.3 154.75 72.09 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.46 161.45 93.78 Favored 'Cis proline' 0 C--N 1.345 0.373 0 C-N-CA 123.307 -1.539 . . . . 0.0 112.384 0.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 69' ' ' ASN . 86.9 t80 -70.83 142.41 51.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -145.79 83.6 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.3 p30 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.832 0.348 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -90.92 163.06 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 98.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.15 127.25 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -65.28 113.56 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 14' ' ' VAL . . . 102.61 29.19 6.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -128.62 84.65 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.1 m -80.65 -36.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.311 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.85 -8.98 58.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.4 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 t0 60.03 58.17 2.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.903 0.382 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -113.16 -16.81 12.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.279 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.25 23.83 18.44 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.22 144.3 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 6' ' ' GLY . 21.9 t -92.3 100.21 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.672 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.7 t-20 -111.43 172.77 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.2 t -59.34 -31.15 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.9 -33.08 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -53.51 32.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.35 -35.31 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.95 96.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 46' ' ' VAL . 12.3 tp -69.21 -31.03 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -35.79 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -45.21 82.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -58.33 -49.68 76.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' LEU . 26.2 t -67.53 -17.51 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.357 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.06 20.25 6.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.406 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 57.05 30.24 17.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -71.43 -31.23 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.77 28.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.417 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.48 148.81 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 116.68 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -128.06 -178.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -101.79 104.29 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.616 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.7 p -69.8 -30.31 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.648 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -43.33 95.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.444 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.9 -38.55 17.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.22 -46.01 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -59.13 97.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD11 HD12 ' A' ' 54' ' ' LEU . 79.9 mt -87.98 -24.21 23.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.276 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -103.29 -5.77 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.498 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.59 39.54 17.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -77.38 -16.58 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.35 -13.7 43.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.563 -0.827 . . . . 0.0 113.032 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -155.72 151.52 27.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.03 97.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -110.88 -178.25 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -55.87 -30.18 61.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 m -59.56 -44.6 93.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.703 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.6 m-20 -61.15 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.17 -33.27 62.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.652 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.72 -28.11 57.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.274 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 50' ' ' ASP . 16.9 mt -78.45 -44.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -67.08 -50.37 61.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -59.94 -47.05 87.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 mtt85 -63.34 -41.33 98.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 64.2 t80 -58.28 -42.73 87.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -74.33 -18.74 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.331 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.57 21.41 7.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.223 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 55.18 29.05 11.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.759 0.314 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.32 -31.91 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.98 130.39 25.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -106.76 -14.58 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -78.41 106.6 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD22 ' CZ ' ' A' ' 57' ' ' TYR . 10.0 tp -129.19 139.56 36.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.661 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 65' ' ' LEU . 74.0 Cg_endo -76.17 173.12 59.71 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.474 -1.469 . . . . 0.0 112.481 0.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HB2' HG21 ' A' ' 53' ' ' ILE . 68.3 t80 -70.83 131.85 44.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 86.35 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 49.1 t30 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.8 t -74.99 156.71 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -70.22 90.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 125.66 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -60.16 118.16 6.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.737 ' HA2' HD11 ' A' ' 54' ' ' LEU . . . 98.52 28.14 8.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -125.91 79.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.561 HG11 HD13 ' A' ' 22' ' ' LEU . 27.6 m -77.23 -36.15 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -78.35 -9.03 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.407 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.43 58.87 2.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.939 0.4 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -112.24 -16.79 12.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.4 21.94 23.25 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.553 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.27 137.46 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -83.39 99.43 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.8 171.15 7.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.9 p -59.0 -30.27 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 20' ' ' VAL . 89.6 m -59.47 -30.66 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.73 -37.15 76.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.42 69.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 17' ' ' THR . 10.3 p -59.97 -32.08 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.061 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.63 -36.72 68.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.5 tp -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.508 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 7.4 tmtt? -69.88 -44.04 70.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -37.78 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -60.21 -53.54 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.23 -17.59 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.486 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' NZ ' ' A' ' 23' ' ' LYS . 16.2 tp -88.69 12.54 14.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.443 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp85 58.85 38.72 24.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.848 0.356 . . . . 0.0 111.014 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -80.36 -2.4 45.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.77 75.07 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.3 tt -97.33 134.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 111.059 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -91.03 118.45 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 22' ' ' LEU . 26.5 pt -125.29 176.42 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -88.67 107.52 18.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 81.5 p -76.68 -28.58 55.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.622 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.31 92.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.516 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -87.25 -33.67 19.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.742 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 35' ' ' THR . . . -59.06 -41.58 88.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -63.08 98.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.902 HD11 HD12 ' A' ' 54' ' ' LEU . 71.3 mt -88.65 -25.48 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.19 -9.3 22.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.399 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 62.84 36.59 12.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -77.33 -16.66 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.71 15.47 54.63 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.744 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.23 136.42 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.99 97.19 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.42 -171.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.0 p -60.76 -27.87 68.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.651 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.3 m -59.97 -52.23 66.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -56.75 -41.94 78.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.765 ' HA ' HD23 ' A' ' 22' ' ' LEU . 60.6 tp -56.38 -30.58 62.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.97 -32.48 32.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.397 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.425 ' HB ' HD12 ' A' ' 40' ' ' LEU . 49.1 mt -70.63 -32.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.902 HD12 HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.93 -48.98 26.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.76 ' O ' HD23 ' A' ' 59' ' ' LEU . 3.8 ttmt -61.05 -41.56 96.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -69.7 -32.84 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.86 -41.01 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.7 mt -80.74 -16.53 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.478 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 55' ' ' LYS . 3.8 mm? -94.17 20.72 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.34 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt 55.4 30.86 15.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.55 -32.77 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 pt -141.08 133.82 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -121.56 13.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.2 m -110.04 107.02 16.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 64' ' ' THR . 3.4 mp -133.16 152.08 78.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.1 158.33 96.46 Favored 'Cis proline' 0 C--N 1.348 0.508 0 C-N-CA 123.32 -1.533 . . . . 0.0 112.428 -0.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -70.9 146.43 49.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 94.03 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 t30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.823 0.344 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.562 HG23 HD12 ' A' ' 4' ' ' LEU . 7.7 t -130.97 150.18 52.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 89.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.562 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -110.11 159.47 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -79.54 115.42 19.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.12 -27.25 16.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -64.06 82.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 38' ' ' ALA . 13.4 m -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -85.8 -6.7 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.387 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.58 54.64 2.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.3 p30 -113.01 -16.82 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.325 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.88 61.44 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.794 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.78 143.06 48.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.4 100.05 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -112.54 -173.15 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -65.67 -30.13 70.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.1 m -59.76 -31.31 69.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' A' ' 8' ' ' VAL . 9.0 m-20 -69.2 -31.63 70.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . . . -67.44 -57.22 6.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.43 -26.55 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.13 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 ' CG1' ' A' ' 46' ' ' VAL . 61.5 tp -65.46 -38.81 90.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -58.26 -46.57 85.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -59.96 -34.1 72.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -74.25 -53.21 10.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.524 HG22 HG12 ' A' ' 46' ' ' VAL . 22.0 t -64.14 -23.9 34.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -89.17 9.35 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 57.59 44.19 21.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.841 0.353 . . . . 0.0 110.982 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -80.73 -30.83 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.67 40.23 2.39 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 tt -110.17 146.01 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 t -98.65 116.41 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 pt -138.02 -178.06 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -90.18 99.44 12.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.737 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.9 p -69.4 -30.99 69.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.633 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -80.11 -33.29 38.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.14 -39.17 74.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.263 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -60.05 98.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' A' ' 54' ' ' LEU . 75.1 mt -88.46 -18.6 27.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.396 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -109.74 -6.7 15.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.526 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 61.24 37.99 16.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -77.29 -16.72 58.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.184 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.24 -13.7 48.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.927 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 147.81 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.898 0.38 . . . . 0.0 111.095 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.63 ' CG1' HD11 ' A' ' 22' ' ' LEU . 21.6 t -83.14 97.22 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -111.25 -177.82 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -55.85 -29.15 59.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.587 HG22 HD11 ' A' ' 53' ' ' ILE . 5.5 m -59.25 -47.87 83.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 53' ' ' ILE . 2.7 m-20 -58.97 -45.2 91.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.7 tp -58.06 -34.88 70.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.729 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.06 -32.22 53.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.261 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 50' ' ' ASP . 10.7 mt -75.15 -32.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.624 HD13 HD22 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.02 -39.03 72.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -62.3 -49.43 75.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -62.4 -32.65 73.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.781 ' CE1' HD22 ' A' ' 65' ' ' LEU . 20.1 t80 -64.38 -44.95 89.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 27.3 mt -73.6 -28.01 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.02 -4.51 44.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.415 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? 68.61 40.65 1.82 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -108.24 -33.92 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 53' ' ' ILE . 26.4 pt -115.55 132.37 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.184 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -24.79 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.1 m -78.49 122.92 26.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 0.0 111.037 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD22 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -146.67 141.08 15.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 72.0 Cg_endo -77.62 167.63 78.49 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.41 -1.496 . . . . 0.0 112.525 0.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 69' ' ' ASN . 80.4 t80 -81.94 98.05 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.35 81.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 4.3 t-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.83 0.348 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.939 HG23 HD12 ' A' ' 4' ' ' LEU . 8.8 t -81.85 161.66 23.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -60.07 98.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.939 HD12 HG23 ' A' ' 2' ' ' THR . 0.1 OUTLIER -117.81 150.97 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -88.1 100.65 13.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.437 ' O ' HD21 ' A' ' 54' ' ' LEU . . . 122.03 -28.21 5.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.387 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -64.34 84.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' A' ' 38' ' ' ALA . 11.7 m -79.81 -34.67 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.95 -8.93 59.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.329 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 59.52 56.22 3.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -112.88 -16.87 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.38 20.78 24.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.554 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -167.23 135.84 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 58' ' ' ILE . 21.5 t -84.96 99.37 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -112.92 -177.83 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -60.91 -30.61 70.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -61.91 -29.72 70.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 8' ' ' VAL . 9.8 m-20 -63.48 -30.46 71.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.77 -54.35 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.6 p -59.11 -41.25 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.38 -52.99 63.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.795 HD22 HD13 ' A' ' 54' ' ' LEU . 34.3 tp -61.43 -34.57 75.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -48.6 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -57.05 -33.26 67.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -70.7 -60.53 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 22' ' ' LEU . 15.2 t -58.14 -23.56 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 tp -83.91 4.39 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.553 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 61.39 38.29 16.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.318 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -74.52 -31.24 62.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.09 29.74 5.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 tt -106.21 158.1 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 111.051 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 127.66 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.7 pt -131.46 -179.37 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.06 105.7 17.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.4 p -73.92 -30.89 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -43.35 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.512 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -84.19 -37.57 21.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.783 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -58.27 -39.74 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.37 98.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.735 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD11 ' HG ' ' A' ' 54' ' ' LEU . 36.5 mt -88.72 -22.08 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -101.78 -9.98 20.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.393 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.71 38.95 18.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.862 0.363 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 p30 -77.29 -16.57 58.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.8 10.18 50.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.048 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -167.25 139.92 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.13 97.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.95 -178.21 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -29.08 62.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 HG21 HD21 ' A' ' 69' ' ' ASN . 1.0 OUTLIER -59.11 -48.49 81.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.01 -43.66 91.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.659 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.6 tp -58.88 -33.91 71.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.558 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.16 -29.03 57.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.218 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.2 mt -80.19 -33.43 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.717 0.294 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.795 HD13 HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.11 -43.93 73.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -64.28 -46.36 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -62.46 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.35 -37.91 80.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.429 HG12 HG12 ' A' ' 14' ' ' VAL . 20.7 mt -83.34 -18.9 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 19.27 9.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.239 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.13 31.89 17.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.804 0.335 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -94.01 -34.49 13.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.55 121.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.72 13.51 21.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 65' ' ' LEU . 30.5 m -111.55 106.44 15.3 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 64' ' ' THR . 3.3 mp -128.81 155.12 79.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 73.4 Cg_endo -75.78 166.48 82.88 Favored 'Cis proline' 0 C--N 1.346 0.445 0 C-N-CA 123.261 -1.558 . . . . 0.0 112.442 -0.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -70.9 138.51 50.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.25 88.83 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.45 HD21 HG21 ' A' ' 49' ' ' THR . 3.1 t-20 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.741 0.305 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -61.74 165.92 4.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -68.15 89.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.788 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.73 115.07 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.614 ' HB3' HD23 ' A' ' 65' ' ' LEU . 49.7 m-85 -61.05 102.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 14' ' ' VAL . . . 112.25 25.71 4.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.468 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -128.64 86.72 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 38' ' ' ALA . 12.6 m -82.05 -28.8 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -87.15 5.86 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.496 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 43.84 56.64 4.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 111.417 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -105.79 -16.73 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.13 19.69 25.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.677 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -167.25 148.21 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 HG12 ' A' ' 58' ' ' ILE . 21.4 t -91.11 99.55 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.636 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -112.72 173.18 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -29.66 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.636 HG22 ' HB3' ' A' ' 15' ' ' ASN . 10.4 t -59.31 -30.52 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -62.43 -35.49 79.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.31 -53.08 32.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 21' ' ' ALA . 10.8 p -63.91 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD23 ' HA ' ' A' ' 51' ' ' LEU . 22.7 tp -67.51 -31.76 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG3' HD21 ' A' ' 51' ' ' LEU . 2.5 ttpp -63.92 -45.08 90.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -59.95 -39.05 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -60.18 -37.05 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 12.8 t -76.57 -20.06 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.8 tp -94.03 21.51 6.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 55.21 30.48 14.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.823 0.344 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.1 p -62.78 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.6 29.18 19.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.7 tt -96.49 120.39 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -72.62 115.4 11.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.9 pt -126.27 178.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -88.15 102.29 14.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -67.97 -31.26 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.446 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -43.41 98.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.399 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -81.82 -37.98 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -57.43 -52.75 64.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -59.26 98.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.5 mt -88.64 -24.21 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.306 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -100.56 -11.35 20.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.476 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 59.37 39.47 22.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -77.26 -16.61 58.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.49 4.65 37.34 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.987 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 143.84 4.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 22' ' ' LEU . 21.6 t -82.98 97.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -110.99 -178.09 3.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 p -57.02 -28.84 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -59.79 -50.38 74.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.2 -43.82 87.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.691 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.61 ' HA ' HD23 ' A' ' 22' ' ' LEU . 42.9 tp -57.97 -33.94 69.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.54 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.26 -34.28 51.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.213 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' O ' HD11 ' A' ' 62' ' ' ILE . 49.5 mt -72.16 -33.52 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.494 HD23 HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -72.73 -49.61 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' O ' HD13 ' A' ' 59' ' ' LEU . 23.0 ttmt -59.95 -35.04 74.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -36.07 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.3 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.556 HG12 HG12 ' A' ' 14' ' ' VAL . 32.9 mt -84.24 -19.63 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.373 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 55' ' ' LYS . 7.8 mp -95.29 22.57 6.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.24 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt 54.36 30.18 12.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.53 -31.14 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 53' ' ' ILE . 3.6 pt -148.74 131.27 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -120.78 13.45 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.717 ' O ' HD12 ' A' ' 65' ' ' LEU . 63.8 m -105.51 106.35 16.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 64' ' ' THR . 4.1 mp -135.8 154.14 77.72 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.95 158.48 97.87 Favored 'Cis proline' 0 C--N 1.348 0.526 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.394 0.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 69' ' ' ASN . 57.6 t80 -70.83 119.14 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.73 69.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 3.7 m-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 2' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.812 0.339 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 1' ' ' SER . 0.8 OUTLIER -161.76 132.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 85.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 5' ' ' TYR . 1.0 OUTLIER -121.43 127.04 50.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.44 ' N ' HD23 ' A' ' 4' ' ' LEU . 14.8 m-85 -60.01 101.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.94 13.4 7.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.76 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -105.18 72.54 1.0 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.953 0.406 . . . . 0.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.915 HG11 HD13 ' A' ' 22' ' ' LEU . 15.2 m -72.36 -30.43 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.243 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -85.47 -8.96 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.441 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t70 58.11 59.46 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.892 0.377 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -122.23 -0.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.15 25.98 65.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -167.2 130.17 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.78 99.53 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -112.72 -176.3 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 m -59.09 -30.6 68.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 20' ' ' VAL . 17.6 m -58.9 -37.24 76.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -62.95 -32.68 74.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.97 -54.05 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 21' ' ' ALA . 11.1 p -60.55 -41.82 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -62.58 -43.4 98.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.915 HD13 HG11 ' A' ' 8' ' ' VAL . 16.3 tp -62.02 -36.35 81.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.83 -41.18 97.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HB2' HG21 ' A' ' 31' ' ' ILE . 8.6 mmt85 -59.98 -38.0 81.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.833 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -68.26 -51.31 46.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -62.0 -23.14 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -89.79 10.84 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.67 30.63 20.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.4 p -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.3 31.84 5.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' A' ' 24' ' ' ARG . 19.0 tt -102.91 147.07 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.55 131.87 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.7 pt -142.11 -178.51 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 2.6 m120 -91.31 103.98 16.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.652 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 82.3 p -74.4 -30.58 62.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -43.28 99.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.661 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -87.93 -29.29 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.14 -49.86 72.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.278 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -58.34 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 53' ' ' ILE . 1.4 mt -86.9 -28.78 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -96.82 -5.85 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.454 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 60.56 37.52 19.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -77.4 -16.47 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.38 -13.72 43.49 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -152.18 150.21 29.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.339 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.92 97.27 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.987 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -109.91 -177.33 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -54.59 -29.22 50.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -45.07 93.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.754 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 53' ' ' ILE . 4.6 m-20 -60.73 -43.02 98.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.627 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.66 ' HA ' HD23 ' A' ' 22' ' ' LEU . 7.9 tp -58.01 -36.43 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.14 -29.18 62.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.336 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 50' ' ' ASP . 8.7 mt -78.59 -35.11 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.626 ' CD1' HD11 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -65.11 -37.06 86.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -77.69 -49.1 15.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -61.47 -34.71 75.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE1' HD22 ' A' ' 65' ' ' LEU . 36.9 t80 -64.85 -50.3 67.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.626 HD11 ' CD1' ' A' ' 54' ' ' LEU . 29.2 mt -68.66 -20.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 83.5 mt -89.87 11.79 19.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.435 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt 56.49 29.96 16.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.755 0.312 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -92.37 -31.63 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.6 pt -130.29 118.35 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -107.82 13.38 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.14 106.39 16.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 0.0 110.731 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 65' ' ' LEU . 1.3 tp -128.56 143.02 46.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . 74.1 Cg_endo -77.07 165.21 85.42 Favored 'Cis proline' 0 C--N 1.346 0.414 0 C-N-CA 123.237 -1.568 . . . . 0.0 112.287 0.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -70.79 102.78 2.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -114.31 69.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.784 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 t -78.49 171.81 14.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 85.75 7.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -108.44 114.82 28.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -60.81 103.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 54' ' ' LEU . . . 126.79 -25.74 5.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -67.37 74.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.852 HG11 HD13 ' A' ' 22' ' ' LEU . 8.8 m -73.28 -30.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.391 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -85.38 -8.86 58.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.507 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 61.58 52.59 3.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.897 0.379 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -108.23 -16.83 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.273 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.91 55.29 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -136.65 146.33 45.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 HD23 ' A' ' 4' ' ' LEU . 21.3 t -93.19 99.45 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HB3' HG22 ' A' ' 17' ' ' THR . 12.8 t-20 -111.98 172.78 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m -58.99 -31.03 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.662 HG22 ' HB3' ' A' ' 15' ' ' ASN . 9.0 t -58.79 -31.2 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 8' ' ' VAL . 4.0 m-20 -65.43 -32.66 74.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.8 -52.49 29.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 17' ' ' THR . 10.8 p -59.75 -32.12 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.53 71.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.852 HD13 HG11 ' A' ' 8' ' ' VAL . 9.9 tp -72.56 -45.6 58.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -57.74 -34.01 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -70.8 -36.02 72.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -69.95 -44.83 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.2 -22.43 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.65 14.9 13.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.348 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtt85 56.12 36.8 28.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.821 0.343 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -67.17 -30.63 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.96 34.49 5.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.577 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 31' ' ' ILE . 16.4 tt -114.31 117.47 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 m -72.03 121.31 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.761 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CD1' HD12 ' A' ' 22' ' ' LEU . 34.9 pt -127.43 179.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -87.77 106.92 18.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.626 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -78.81 -30.48 45.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.29 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.511 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -85.83 -31.62 22.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.851 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 8' ' ' VAL . . . -56.15 -39.79 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -59.6 98.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.824 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -84.44 -26.68 28.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.0 p-10 -103.23 -2.11 27.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.612 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.58 35.72 19.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 p30 -79.22 -16.64 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.226 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.68 16.3 39.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.726 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.28 162.5 14.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.531 HG11 HD11 ' A' ' 22' ' ' LEU . 21.5 t -112.99 97.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.53 -169.08 1.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -60.7 -27.85 68.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.572 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.791 HG22 HD11 ' A' ' 53' ' ' ILE . 94.1 m -60.58 -49.0 79.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.729 ' HA ' HD12 ' A' ' 53' ' ' ILE . 19.7 m-20 -58.31 -41.6 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 22' ' ' LEU . 8.2 tp -56.57 -32.86 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.05 -35.81 20.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.791 HD11 HG22 ' A' ' 49' ' ' THR . 11.4 mt -66.88 -39.7 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.745 HD13 HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -70.61 -37.85 73.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -40.69 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -67.85 -35.16 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CE1' HD22 ' A' ' 65' ' ' LEU . 38.3 t80 -66.96 -37.28 83.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.0 mt -83.45 -20.49 9.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.397 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.06 19.75 8.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.326 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.9 33.22 19.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -96.19 -32.16 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 53' ' ' ILE . 24.0 pt -141.08 131.88 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.46 -19.41 12.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 65' ' ' LEU . 91.3 m -78.43 119.54 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.692 HD21 HD11 ' A' ' 40' ' ' LEU . 2.1 mp -138.02 151.07 69.34 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.696 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.91 170.08 72.69 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.301 -1.541 . . . . 0.0 112.417 0.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.85 106.65 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.52 76.95 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_